# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T05:47:28+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemical science') AND volume = 7 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1531039","14.3767","0.0009","24.3477","0.0016","24.5528","0.0014","90.131","0.002","93.427","0.003","91.09","0.003","8577.5","0.9","100","2","100","2","","","","","","","","5","P 1","P 1","1","","NR443-B","","- C70.45 H104.45 Cl13.38 N8 O12.05 -","- C70.4595 H104.46 Cl13.3785 N8 O12.053 -","- C281.838 H417.838 Cl53.514 N32 O48.212 -","4","4","","Rodríguez-Vázquez, Nuria; García-Fandiño, Rebeca; Amorín, Manuel; Granja, Juan R.","Self-assembling α,γ-cyclic peptides that generate cavities with tunable properties","Chem. Sci.","2016","7","1","183","","10.1039/C5SC03187G","","x-ray","0.71073","MoKα","","0.1402","0.0823","","","0.1987","0.2339","","","","","","1.016","","","","has coordinates,has disorder","175932","2020-10-21","18:00:00",""
"1532467","26.261","0.003","5.162","0.0004","9.7804","0.001","90","","111.188","0.012","90","","1236.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H7 F2 N3 O3 S -","- C11 H7 F2 N3 O3 S -","- C44 H28 F8 N12 O12 S4 -","4","1","","Zhang, Huatang; Liu, Ruochuan; Liu, Jie; Li, Lin; Wang, Ping; Yao, Shao Q.; Xu, Zhengtao; Sun, Hongyan","A minimalist fluorescent probe for differentiating Cys, Hcy and GSH in live cells","Chem. Sci.","2016","7","1","256","","10.1039/C5SC02431E","","","1.54178","CuKα","","0.0308","0.0293","","","0.0848","0.0857","","","","","","1.088","","","","has coordinates","175922","2020-10-21","18:00:00",""
"1532488","5.2396","0.0012","10.766","0.002","12.305","0.002","97.556","0.01","93.106","0.012","95.573","0.01","683.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br N3 O2 -","- C15 H10 Br N3 O2 -","- C30 H20 Br2 N6 O4 -","2","1","","Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M.","Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry","Chem. Sci.","2016","7","1","315","","10.1039/C5SC03197D","","","0.71073","MoKα","","0.0419","0.0334","","","0.0846","0.0891","","","","","","1.031","","","","has coordinates,has disorder","175927","2020-10-21","18:00:00",""
"1532489","9.3536","0.0002","17.701","0.0004","9.8752","0.0002","90","","111.505","0.0012","90","","1521.2","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","","Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M.","Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry","Chem. Sci.","2016","7","1","315","","10.1039/C5SC03197D","","","0.71073","MoKα","","0.0497","0.0396","","","0.1047","0.1127","","","","","","1.033","","","","has coordinates,has disorder","175927","2020-10-21","18:00:00",""
"1532503","15.6926","0.0012","17.5019","0.0012","21.2042","0.0017","90","","110.633","0.0014","90","","5450.2","0.7","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H80 Fe2 O6 P2 Si8 -","- C38 H80 Fe2 O6 P2 Si8 -","- C152 H320 Fe8 O24 P8 Si32 -","4","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0829","0.0716","","","0.1764","0.1846","","","","","","1.092","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532504","9.4542","0.0008","11.3877","0.001","16.3807","0.0015","75.408","0.005","87.846","0.007","79.154","0.006","1676.1","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H52 Fe N O3 P Si4 -","- C26 H52 Fe N O3 P Si4 -","- C52 H104 Fe2 N2 O6 P2 Si8 -","2","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0328","0.0318","","","0.0845","0.0855","","","","","","1.069","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532505","11.1846","0.0009","11.2283","0.001","14.972","0.002","83.758","0.015","76.946","0.013","60.902","0.008","1600.5","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H49 Fe O3 P Si5 -","- C22 H49 Fe O3 P Si5 -","- C44 H98 Fe2 O6 P2 Si10 -","2","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0561","0.0444","","","0.0977","0.1048","","","","","","1.072","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532506","11.387","0.003","14.883","0.004","24.983","0.006","90","","90","","90","","4233.9","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Fe O3 P Si4 Sn -","- C37 H56 Fe O3 P Si4 Sn -","- C148 H224 Fe4 O12 P4 Si16 Sn4 -","4","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0741","0.0592","","","0.1244","0.1351","","","","","","1.089","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1534126","7.2317","0.0005","11.2958","0.0007","32.232","0.002","90","","90","","90","","2633","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C128 H104 N8 O24 -","8","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0437","0.0371","","","0.0943","0.099","","","","","","1.027","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534127","5.792","0.003","23.556","0.009","11.041","0.005","90","","113.83","0.03","90","","1378","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","1.54178","CuKα","","0.0458","0.0392","","","0.1006","0.1056","","","","","","1.07","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534128","11.1595","0.0011","6.7253","0.0007","11.4275","0.0012","90","","103.413","0.001","90","","834.25","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0359","0.0334","","","0.0849","0.0872","","","","","","1.033","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534129","7.6287","0.0009","11.5801","0.0013","20.615","0.002","90","","90","","90","","1821.2","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C92 H76 N4 O16 -","4","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0565","0.0391","","","0.0765","0.0829","","","","","","1.059","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534130","13.668","0.006","15.095","0.006","19.109","0.008","79.735","0.004","89.183","0.004","63.926","0.004","3475","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 -","- C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 -","- C109 H158 Cl10 Cu4 F24 N12 O12 Sb4 -","2","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.1275","0.0567","","","0.1213","0.1484","","","","","","1","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1534131","7.553","0.005","12.357","0.007","12.549","0.008","83.18","0.04","74.39","0.02","84.51","0.04","1117.6","1.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H54 B2 O4 -","- C64 H54 B2 O4 -","- C64 H54 B2 O4 -","1","0.5","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.71069","MoKα","","0.1813","0.0694","","","0.1185","0.1597","","","","","","0.947","","","","has coordinates","175928","2020-10-21","18:00:00",""
"1534132","11.769","0.012","14.134","0.013","23.62","0.02","84.13","0.03","87.54","0.02","84.78","0.02","3890","6","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H118 B2 O4 -","- C96 H118 B2 O4 -","- C192 H236 B4 O8 -","2","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.7107","MoKα","","0.1791","0.1016","","","0.2431","0.3144","","","","","","1.064","","","","has coordinates","175928","2020-10-21","18:00:00",""
"1534133","15.4324","0.0012","29.3994","0.0018","21.2075","0.0013","90","","97.632","0.002","90","","9536.7","1.1","103","2","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H130 B2 K3 N6 O18 -","- C102 H130 B2 K3 N6 O18 -","- C408 H520 B8 K12 N24 O72 -","4","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.71075","MoKα","","0.106","0.088","","","0.2196","0.2351","","","","","","1.15","","","","has coordinates","175928","2020-10-21","18:00:00",""
"1534134","17.0469","0.0003","17.6986","0.0003","23.1757","0.0004","90","","99.4921","0.0009","90","","6896.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H82 B2 N4 O4 -","- C88 H82 B2 N4 O4 -","- C352 H328 B8 N16 O16 -","4","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","1.54187","CuKα","","0.0777","0.0555","","","0.142","0.1574","","","","","","1.063","","","","has coordinates,has disorder","175928","2020-10-21","18:00:00",""
"1534349","11.113","0.003","35.197","0.009","9.482","0.003","90","","102.084","0.007","90","","3626.6","1.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2,3-triol","(3R,4S,5S)-4-benzyloxy-2,2-dimethyl-5-tris(trimethylsilyl)siloxy-6-phenylhex-1-en-3-ol","","- C30 H54 O3 Si4 -","- C30 H54 O3 Si4 -","- C120 H216 O12 Si16 -","4","1","","Gati, Wafa; Yamamoto, Hisashi","A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols","Chem. Sci.","2016","7","1","394","","10.1039/C5SC03307A","","","0.71075","MoKα","","","0.0847","","","","0.2172","","","","","","0.961","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1534350","16.614","0.019","18.221","0.019","14.051","0.016","90","","105.69","0.02","90","","4095","8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bissilyloxy aldehyde","(2R,3R)-2,3-bis(tris(trimethylsilyl)siloxy)-hexanal","","- C24 H64 O3 Si8 -","- C24 H64 O3 Si8 -","- C96 H256 O12 Si32 -","4","1","","Gati, Wafa; Yamamoto, Hisashi","A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols","Chem. Sci.","2016","7","1","394","","10.1039/C5SC03307A","","","0.71075","MoKα","","","0.2228","","","","0.531","","","","","","1.285","","","","has coordinates","175923","2020-10-21","18:00:00",""
"1534393","11.1928","0.0019","21.893","0.004","32.961","0.006","90","","92.044","0.003","90","","8072","2","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H74 Cl4 F12 N6 O5 P2 -","- C86 H74 Cl4 F12 N6 O5 P2 -","- C344 H296 Cl16 F48 N24 O20 P8 -","4","1","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1526","0.1285","","","0.302","0.3181","","","","","","1.192","","","","has coordinates,has disorder","175916","2020-10-21","18:00:00",""
"1534394","11.354","0.002","17.925","0.004","30.835","0.006","103.44","0.03","93.42","0.03","103.76","0.03","5884","2","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C106 H97 Cl21 F12 N6 O6 P2 -","- C106 H97 Cl21 F12 N6 O6 P2 -","- C212 H194 Cl42 F24 N12 O12 P4 -","2","1","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1317","0.1055","","","0.2671","0.2908","","","","","","1.124","","","","has coordinates,has disorder","175916","2020-10-21","18:00:00",""
"1534395","33.379","0.005","33.379","0.005","40.257","0.008","90","","90","","90","","44853","13","173.15","","173.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C99 H88 F6 N5 O7 P -","- C99 H88 F6 N5 O7 P -","- C1584 H1408 F96 N80 O112 P16 -","16","","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1898","0.1781","","","0.483","0.4905","","","","","","1.94","","","","has coordinates","175916","2020-10-21","18:00:00",""
"1534396","14.0049","0.0002","23.6564","0.0003","26.0431","0.0004","71.035","0.001","82.975","0.001","82.271","0.001","8057.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C193 H178 Cl2 N8 O36 -","- C193 H178 Cl2 N8 O36 -","- C386 H356 Cl4 N16 O72 -","2","1","","Jarolímová, Zdeňka; Vishe, Mahesh; Lacour, Jérôme; Bakker, Eric","Potassium ion-selective fluorescent and pH independent nanosensors based on functionalized polyether macrocycles","Chem. Sci.","2016","7","1","525","","10.1039/C5SC03301B","","","1.54184","CuKα","","0.0691","0.0533","","","0.1522","0.1677","","","","","","0.996","","","","has coordinates","175919","2020-10-21","18:00:00",""
"1534397","13.8888","0.001","13.8888","0.001","25.754","0.004","90","","90","","120","","4302.3","0.8","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C30 H25 Cl3 N2 S2 -","- C30 H25 Cl3 N2 S2 -","- C180 H150 Cl18 N12 S12 -","6","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1269","0.0631","","","0.1294","0.1637","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534398","22.178","0.006","7.454","0.002","18.052","0.005","90","","104.184","0.005","90","","2893.3","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N2 O2 S2 -","- C31 H32 N2 O2 S2 -","- C124 H128 N8 O8 S8 -","4","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1235","0.0554","","","0.1208","0.1449","","","","","","1.055","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534399","20.1561","0.0015","9.0577","0.0007","17.1173","0.0013","90","","93.287","0.001","90","","3119.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 F3 N2 O4 S2 -","- C32 H31 F3 N2 O4 S2 -","- C128 H124 F12 N8 O16 S8 -","4","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.0587","0.0467","","","0.1601","0.1742","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1534400","18.22","0.005","12.964","0.004","24.265","0.007","90","","90","","90","","5731","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H62 N6 O2 S4 -","- C64 H62 N6 O2 S4 -","- C256 H248 N24 O8 S16 -","4","0.5","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1672","0.0698","","","0.147","0.1789","","","","","","1.032","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536868","16.203","0.003","22.757","0.005","14.315","0.003","90","","104.77","0.03","90","","5104","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl3 Dy N4 O10 Zn2 -","- C44 H36 Cl3 Dy N4 O10 Zn2 -","- C176 H144 Cl12 Dy4 N16 O40 Zn8 -","4","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0528","0.0402","","","0.0922","0.0976","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536869","10.6898","0.0004","15.3759","0.0006","16.5328","0.0004","92.178","0.003","108.24","0.003","99.096","0.003","2537.31","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H40 Br3 Cl0 Dy N4 O12 Zn2 -","- C45 H40 Br3 Dy N4 O12 Zn2 -","- C90 H80 Br6 Dy2 N8 O24 Zn4 -","2","1","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0867","0.0684","","","0.1779","0.1924","","","","","","1.039","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536870","12.6367","0.0006","16.8613","0.0008","23.4058","0.0012","90","","104.117","0.005","90","","4836.5","0.4","180","0.1","180","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H76 Br8 Dy2 N8 O18 Zn5 -","- C88 H76 Br8 Dy2 N8 O18 Zn5 -","- C176 H152 Br16 Dy4 N16 O36 Zn10 -","2","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.7107","MoKα","","0.0937","0.0517","","","0.1127","0.1346","","","","","","1.06","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536871","16.2823","0.0006","23.8976","0.001","14.0704","0.0006","90","","104.843","0.004","90","","5292.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 Cl3 Dy N4 O8 Zn2 -","- C44 H48 Cl3 Dy N4 O8 Zn2 -","- C176 H192 Cl12 Dy4 N16 O32 Zn8 -","4","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0461","0.0366","","","0.0893","0.0947","","","","","","1.081","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536875","10.881","0.0016","19.554","0.003","29.442","0.004","90","","90","","90","","6264.3","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3","","","- C66 H90 N2 O8 Zn2 -","- C66 H90 N2 O8 Zn2 -","- C264 H360 N8 O32 Zn8 -","4","0.5","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1766","0.0825","","","0.1356","0.1631","","","","","","1.056","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536876","10.671","0.005","19.665","0.009","17.723","0.008","90","","97.137","0.007","90","","3690","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N2 O4 Zn -","- C38 H50 N2 O4 Zn -","- C152 H200 N8 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2969","0.1078","","","0.1372","0.1933","","","","","","0.997","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536877","12.2437","0.0008","18.3841","0.0011","30.3846","0.0019","90","","90","","90","","6839.3","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5","","","- C32 H46 N2 O4 Zn -","- C32 H46 N2 O4 Zn -","- C256 H368 N16 O32 Zn8 -","8","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1263","0.0486","","","0.0931","0.1202","","","","","","0.992","","","","has coordinates","175918","2020-10-21","18:00:00",""
"1536878","10.6541","0.0009","19.7432","0.0017","17.8899","0.0015","90","","99.193","0.001","90","","3714.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","","","- C36 H52 N4 O4 Zn -","- C36 H52 N4 O4 Zn -","- C144 H208 N16 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1079","0.0582","","","0.1371","0.163","","","","","","1.015","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1536879","10.404","0.003","32.256","0.008","13.672","0.003","90","","111.664","0.004","90","","4264.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 N2 O4 Zn -","- C47 H56 N2 O4 Zn -","- C188 H224 N8 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2885","0.0812","","","0.1753","0.2965","","","","","","0.818","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1536880","12.617","0.003","18.443","0.004","15.543","0.003","90","","102.81","0.03","90","","3526.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","9","","","- C76 H96 N2 O8 Zn2 -","- C76 H96 N2 O8 Zn2 -","- C152 H192 N4 O16 Zn4 -","2","0.5","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2124","0.1127","","","0.301","0.3719","","","","","","1.062","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1536881","7.6947","0.0009","13.1945","0.0015","27.271","0.003","90","","95.507","0.002","90","","2756","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","10","","","- C31 H36 N O2 Zn0.5 -","- C31 H36 N O2 Zn0.5 -","- C124 H144 N4 O8 Zn2 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1315","0.0583","","","0.1168","0.1434","","","","","","1.001","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536882","15.4724","0.0016","15.4781","0.0016","28.908","0.003","78.73","0.004","88.358","0.004","60.122","0.003","5867.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","11","","","- C127.8 H160.2 N3 O12 Zn3 -","- C118 H148.648 N3 O12 Zn3 -","- C236 H297.296 N6 O24 Zn6 -","2","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1811","0.1496","","","0.3209","0.3344","","","","","","1.216","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1538431","15.8828","0.0018","6.8328","0.0008","13.9502","0.0016","90","","107.844","0.002","90","","1441.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H8 N2 O3 S -","- C17 H8 N2 O3 S -","- C68 H32 N8 O12 S4 -","4","1","","Tseng, Huan-Wei; Shen, Jiun-Yi; Kuo, Ting-Yi; Tu, Ting-Syun; Chen, Yi-An; Demchenko, Alexander P.; Chou, Pi-Tai","Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior","Chem. Sci.","2016","7","1","655","","10.1039/C5SC01945A","","","0.71073","MoKα","","0.1021","0.0669","","","0.162","0.2021","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540023","30.518","0.002","31.449","0.002","54.722","0.004","81.113","0.004","76.27","0.004","68.114","0.004","47215","6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C625 H509 B25 Cd12 F142 N145 O3 P7 Ru4 -","- C625 H507 B5 Cd12 F26 N145 O3 P Ru4 -","- C1250 H1014 B10 Cd24 F52 N290 O6 P2 Ru8 -","2","1","","Metherell, Alexander J.; Ward, Michael D.","Imposing control on self-assembly: rational design and synthesis of a mixed-metal, mixed-ligand coordination cage containing four types of component","Chem. Sci.","2016","7","2","910","","10.1039/C5SC03526K","","","1.54178","CuKα","","0.2488","0.1639","","","0.3963","0.4363","","","","","","1.251","","","","has coordinates","175912","2020-10-21","18:00:00",""
"1540182","12.657","0.0012","17.3227","0.0016","13.6878","0.0013","90","","91.065","0.004","90","","3000.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B2 Cu2 Mn4 O8 -","- C28 H20 B2 Cu2 Mn4 O8 -","- C112 H80 B8 Cu8 Mn16 O32 -","4","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0396","0.0308","","","0.0743","0.078","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540183","17.4662","0.0013","12.1607","0.0009","15.4013","0.0018","90","","119.822","0.002","90","","2838.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Au2 B2 Mn4 O8 -","- C28 H20 Au2 B2 Mn4 O8 -","- C112 H80 Au8 B8 Mn16 O32 -","4","0.5","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0195","0.0167","","","0.04","0.0409","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540184","11.174","0.0008","11.176","0.0008","19.8602","0.0014","83.931","0.002","83.831","0.002","75.995","0.002","2384.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H76 B Cu Mn2 O4 P2 Pt -","- C50 H76 B Cu Mn2 O4 P2 Pt -","- C100 H152 B2 Cu2 Mn4 O8 P4 Pt2 -","2","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.068","0.0428","","","0.0869","0.0966","","","","","","0.992","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540185","12.516","0.002","13.405","0.003","19.099","0.004","100.262","0.005","97.963","0.005","95.107","0.005","3101.4","1.1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H83 B Cu Mn2 N2 O4 P Pt -","- C70 H83 B Cu Mn2 N2 O4 P Pt -","- C140 H166 B2 Cu2 Mn4 N4 O8 P2 Pt2 -","2","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0642","0.041","","","0.0839","0.0913","","","","","","1.117","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540186","20.1366","0.0014","18.5935","0.0012","28.856","0.002","90","","95.5214","0.0019","90","","10753.8","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C138 H112 Cu2 N4 S -","- C138 H112 Cu2 N4 S -","- C552 H448 Cu8 N16 S4 -","4","1","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.0648","0.0549","","","0.134","0.14","","","","","","1.076","","","","has coordinates,has disorder","175926","2020-10-21","18:00:00",""
"1540187","12.65","0.003","18.177","0.005","23.842","0.006","90","","91.587","0.003","90","","5480","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H59 Cl2 Cu N2 S -","- C70 H59 Cl2 Cu N2 S -","- C280 H236 Cl8 Cu4 N8 S4 -","4","1","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.1443","0.0833","","","0.1864","0.2134","","","","","","1.056","","","","has coordinates","175926","2020-10-21","18:00:00",""
"1540188","12.6538","0.001","10.6947","0.0009","19.3375","0.0015","90","","90","","90","","2616.9","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H37 Cu N2 S -","- C27 H37 Cu N2 S -","- C108 H148 Cu4 N8 S4 -","4","0.5","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.0606","0.0561","","","0.126","0.1284","","","","","","1.04","","","","has coordinates","175926","2020-10-21","18:00:00",""
"1540189","6.3072","0.0001","12.4643","0.0003","12.5184","0.0003","101.141","0.001","100.174","0.001","103.802","0.0012","911.73","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H31 B2 N O4 -","- C15 H31 B2 N O4 -","- C30 H62 B4 N2 O8 -","2","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0613","0.0495","","","0.1087","0.1137","","","","","","1.093","","","","has coordinates","175936","2020-10-21","18:00:00",""
"1540190","12.741","0.0002","12.948","0.0002","20.76","0.0003","90","","92.575","0.001","90","","3421.33","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 Mg N3 O -","- C37 H49 Mg N3 O -","- C148 H196 Mg4 N12 O4 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0837","0.0569","","","0.1247","0.1347","","","","","","1.114","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540191","22.747","0.0002","13.264","0.0001","24.917","0.0002","90","","115.512","0.001","90","","6784.83","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H98 Mg2 N6 O2 -","- C74 H98 Mg2 N6 O2 -","- C296 H392 Mg8 N24 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.1025","0.0561","","","0.1192","0.1405","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540192","13.7058","0.0002","13.1659","0.0002","22.9509","0.0003","90","","96.1775","0.0006","90","","4117.42","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 B Mg N3 O -","- C40 H64 B Mg N3 O2 -","- C160 H256 B4 Mg4 N12 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0894","0.0498","","","0.1103","0.1273","","","","","","1.018","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540193","12.3279","0.0005","30.1877","0.0009","26.5175","0.0011","90","","102.622","0.002","90","","9630","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C102 H132 B Mg2 N6 O2 -","- C102 H132 B Mg2 N6 O2 -","- C408 H528 B4 Mg8 N24 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.1638","0.0804","","","0.1714","0.211","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540390","37.115","0.008","37.115","0.008","8.929","0.0019","90","","90","","120","","10652","4","103","2","103","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C66 H56 -","- C66 H56 -","- C594 H504 -","9","0.5","","Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro","Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes","Chem. Sci.","2016","7","1","650","","10.1039/C5SC03391H","","","0.71075","MoKα","","0.0951","0.056","","","0.1134","0.1371","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540391","14.623","0.006","14.269","0.005","15.12","0.006","90","","109.197","0.007","90","","2979","2","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C84 H72 O2 -","- C84 H72 O2 -","- C168 H144 O4 -","2","0.5","","Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro","Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes","Chem. Sci.","2016","7","1","650","","10.1039/C5SC03391H","","","0.71075","MoKα","","0.1713","0.096","","","0.2429","0.2959","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540427","31.467","0.005","9.589","0.005","30.77","0.005","90","","91.556","0.005","90","","9281","5","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C78 H96 Cl16 Fe2 N8 O18 -","- C78 H96 Cl16 Fe2 N8 O18 -","- C312 H384 Cl64 Fe8 N32 O72 -","4","1","","Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad","Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication","Chem. Sci.","2016","7","2","1212","","10.1039/C5SC03120F","","","0.71069","MoKα","","0.1108","0.0679","","","0.1584","0.1791","","","","","","1.031","","","","has coordinates,has disorder","175898","2020-10-21","18:00:00",""
"1540428","15.165","0.005","18.236","0.005","15.623","0.005","90","0.005","103.044","0.005","90","0.005","4209","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H92 Cl14 Fe4 N8 -","- C76 H92 Cl14 Fe4 N8 -","- C152 H184 Cl28 Fe8 N16 -","2","0.5","","Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad","Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication","Chem. Sci.","2016","7","2","1212","","10.1039/C5SC03120F","","","0.71073","MoKα","","0.068","0.0489","","","0.1214","0.1332","","","","","","1.032","","","","has coordinates,has disorder","175898","2020-10-21","18:00:00",""
"1540429","3.6831","0.0002","25.8877","0.0019","16.8155","0.0011","90","","90","","90","","1603.31","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K2 S7 Sn3 -","- K2 S7 Sn3 -","- K8 S28 Sn12 -","4","0.25","","Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G.","K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions","Chem. Sci.","2016","7","2","1121","","10.1039/C5SC03040D","","","0.71073","MoKα","","0.0796","0.0749","","","0.2183","0.2237","","","","","","1.14","","","","has coordinates","175905","2020-10-21","18:00:00",""
"1540430","13.092","0.003","16.882","0.002","7.3748","0.0013","90","","98.1","0.015","90","","1613.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- K1.92 S7.04 Sn3.04 -","- K1.912 S7.041 Sn3.041 -","- K7.648 S28.164 Sn12.164 -","4","1","","Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G.","K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions","Chem. Sci.","2016","7","2","1121","","10.1039/C5SC03040D","","","0.71073","MoKα","","0.141","0.1063","","","0.2807","0.31","","","","","","1.135","","","","has coordinates","175905","2020-10-21","18:00:00",""
"1540431","10.8398","0.0018","16.34","0.003","17.69","0.003","85.439","0.006","75.15","0.005","82.111","0.006","2996.8","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H74 As N4 -","- C72 H74 As N4 -","- C144 H148 As2 N8 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.1623","0.0596","","","0.1122","0.147","","","","","","0.965","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540432","10.6316","0.0009","12.8458","0.001","20.4651","0.0017","85.732","0.004","82.704","0.005","66.749","0.004","2546.3","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 As N3 P -","- C60 H62 As0.9995 N3 P0.9999 -","- C120 H124 As1.999 N6 P1.9998 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0767","0.0576","","","0.1413","0.1486","","","","","","1.008","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540433","10.6707","0.0005","12.7933","0.0006","20.5386","0.0009","85.861","0.003","82.563","0.003","67.099","0.002","2560.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 As N3 P -","- C60 H62 As0.9997 N3 P0.9997 -","- C120 H124 As1.9994 N6 P1.9994 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0881","0.0465","","","0.0934","0.1013","","","","","","0.877","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540434","24.123","0.002","12.4043","0.0009","39.14","0.003","90","","106.871","0.003","90","","11207.8","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.25 H71.25 As N3 P2 -","- C65.252 H71.252 As N3 P2 -","- C522.016 H570.016 As8 N24 P16 -","8","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0897","0.0511","","","0.1059","0.1204","","","","","","1.005","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540435","13.5212","0.0003","15.0131","0.0004","16.025","0.0002","90","","116.716","0.001","90","","2905.73","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Ir O P2 S2 -","- C29 H37 Ir O P2 S2 -","- C116 H148 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","0.71073","MoKα","","0.0348","0.0276","","","0.0632","0.0682","","","","","","1.044","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540436","12.8155","0.0007","14.1374","0.0008","19.4358","0.0011","105.409","0.002","103.594","0.002","93.729","0.002","3269","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H40 Ir O2 P2 S2 -","- C32.5 H40 Ir O2 P2 S2 -","- C130 H160 Ir4 O8 P8 S8 -","4","2","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0382","0.0356","","","0.0894","0.0917","","","","","","1.031","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540437","14.5417","0.0003","11.2071","0.0002","22.7055","0.0005","90","","106.959","0.001","90","","3539.41","0.13","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Br Ir O P2 S2 -","- C36 H44 Br Ir O P2 S2 -","- C144 H176 Br4 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0214","0.0201","","","0.0491","0.0497","","","","","","1.073","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540438","12.4862","0.0003","13.6671","0.0005","23.602","0.0006","90","","118.383","0.002","90","","3543.52","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl3 Ir P2 S2 -","- C36 H44 Cl3 Ir P2 S2 -","- C144 H176 Cl12 Ir4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","0.71073","MoKα","","0.0757","0.0552","","","0.1355","0.1511","","","","","","1.132","","","","has coordinates,has disorder","175906","2020-10-21","18:00:00",""
"1540439","29.3975","0.0005","17.9182","0.0003","23.5916","0.0006","90","","122.649","0.001","90","","10463.3","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 Cl F6 Ir O6 P2 S4 -","- C31 H36 Cl F6 Ir O6 P2 S4 -","- C248 H288 Cl8 F48 Ir8 O48 P16 S32 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0635","0.0498","","","0.1303","0.1443","","","","","","1.02","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540440","27.4764","0.0005","20.4688","0.0004","18.4422","0.0004","90","","112.874","0.001","90","","9556.4","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Cl F6 Ir O7 P2 S4 -","- C31 H38 Cl F6 Ir O7 P2 S4 -","- C248 H304 Cl8 F48 Ir8 O56 P16 S32 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0437","0.0391","","","0.1051","0.1089","","","","","","1.037","","","","has coordinates,has disorder","175906","2020-10-21","18:00:00",""
"1540441","11.8013","0.0012","5.5827","0.0006","22.723","0.002","90","","100.092","0.002","90","","1473.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.19 H10.98 Ca O6 S -","- C15.108 H10.77 Ca O6 S -","- C60.432 H43.08 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0643","0.0523","","","0.1177","0.1233","","","","","","1.002","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540442","11.7292","0.0013","5.5685","0.0006","22.792","0.003","90","","100.493","0.002","90","","1463.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.6 H9.36 Ca O6 S -","- C14.63 H9.44 Ca O6 S -","- C58.52 H37.76 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.057","0.0462","","","0.1037","0.1088","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540443","11.715","0.0006","5.5679","0.0003","22.8208","0.0011","90","","100.532","0.001","90","","1463.48","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.63 H9.47 Ca O6 S -","- C14.63 H9.47 Ca O6 S -","- C58.52 H37.88 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0645","0.0618","","","0.1292","0.1309","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540444","11.8767","0.0011","5.5769","0.0005","22.486","0.002","90","","99.893","0.001","90","","1467.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.58 H11.8 Ca O6 S -","- C15.58 H11.792 Ca O6 S -","- C62.32 H47.168 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.056","0.047","","","0.1151","0.1192","","","","","","1.111","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540445","11.7073","0.001","5.5647","0.0005","22.83","0.002","90","","100.586","0.001","90","","1462","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.5 H9.34 Ca O6 S -","- C14.501 H9.336 Ca O6 S -","- C58.004 H37.344 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0439","0.0372","","","0.0904","0.0939","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540446","11.6426","0.0008","5.5574","0.0004","22.8446","0.0016","90","","100.681","0.001","90","","1452.5","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.31 H11.5 Ca O6 S -","- C15.311 H11.496 Ca O6 S -","- C61.244 H45.984 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0349","0.0324","","","0.084","0.0857","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540447","11.6884","0.0005","5.5643","0.0002","22.8159","0.001","90","","100.691","0.004","90","","1458.14","0.11","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.72 H9.79 Ca O6 S -","- C14.716 H9.79 Ca O6 S -","- C58.864 H39.16 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","x-ray","0.71073","MoKα","","0.0437","0.0346","","","0.0806","0.0858","","","","","","1.01","","","","has coordinates","175934","2020-10-21","18:00:00",""
"1540457","5.8762","0.0009","23.96","0.002","12.4969","0.0012","90","","91.956","0.01","90","","1758.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C31 H56 Cl2 N10 -","- C31 H56 Cl1.9999 N10 -","- C62 H112 Cl3.9998 N20 -","2","0.5","","Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.","s-Heptazine oligomers: promising structural models for graphitic carbon nitride","Chem. Sci.","2016","7","2","945","","10.1039/C5SC02992A","","","0.71073","MoKα","","0.128","0.0788","","","0.2","0.2294","","","","","","1.051","","","","has coordinates,has disorder","175913","2020-10-21","18:00:00",""
"1540458","21.414","0.0019","11.9388","0.0009","25.308","0.002","90","","96.333","0.008","90","","6430.7","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H91 N21 O4 -","- C60 H91 N21 O4 -","- C240 H364 N84 O16 -","4","1","","Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.","s-Heptazine oligomers: promising structural models for graphitic carbon nitride","Chem. Sci.","2016","7","2","945","","10.1039/C5SC02992A","","","0.71073","MoKα","","0.1552","0.0677","","","0.118","0.1495","","","","","","1.005","","","","has coordinates,has disorder","175913","2020-10-21","18:00:00",""
"1540459","14.485","0.004","7.985","0.002","23.646","0.007","90","","106.418","0.006","90","","2623.4","1.3","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jonsc01","(4-MeO-t-BuPOCOP)NiCl","","- C23 H41 Cl Ni O3 P2 -","- C23 H41 Cl Ni O3 P2 -","- C92 H164 Cl4 Ni4 O12 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0934","0.0498","","","0.0939","0.1087","","","","","","1.024","","","","has coordinates,has disorder","175921","2020-10-21","18:00:00",""
"1540460","9.8433","0.0017","19.618","0.003","13.982","0.002","90","","105.052","0.004","90","","2607.4","0.7","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonsc05","(4-Me-t-BuPOCOP)NiCl","","- C23 H41 Cl Ni O2 P2 -","- C23 H41 Cl Ni O2 P2 -","- C92 H164 Cl4 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0928","0.0485","","","0.0973","0.1123","","","","","","1.022","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540461","9.756","0.003","19.408","0.006","14.026","0.004","90","","104.528","0.006","90","","2570.8","1.3","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsc04","(4-MeO-t-BuPOCOP)Ni-H","","- C23 H42 Ni O3 P2 -","- C23 H42 Ni O3 P2 -","- C92 H168 Ni4 O12 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0949","0.0493","","","0.099","0.1152","","","","","","1.029","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540462","9.528","0.003","20.201","0.007","13.434","0.005","90","","100.908","0.007","90","","2539","1.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsc03","(4-Me-t-BuPOCOP)Ni-H","","- C23 H42 Ni O2 P2 -","- C23 H42 Ni O2 P2 -","- C92 H168 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0868","0.0571","","","0.1174","0.1264","","","","","","1.134","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540463","15.131","0.003","12.589","0.002","17.529","0.003","90","","106.717","0.004","90","","3197.9","1","100","0.5","100","0.5","","","","","","","hexane/MeOH","5","P 1 21/n 1","-P 2yn","14","jonsc02","(3,5-t-Bu2-t-BuPOCOP)Ni-H","","- C30 H56 Ni O2 P2 -","- C30 H56 Ni O2 P2 -","- C120 H224 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0988","0.0527","","","0.1088","0.1271","","","","","","1.043","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540464","7.6473","0.0009","12.5571","0.0015","15.1719","0.0018","90","","92.552","0.002","90","","1455.5","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 21/m 1","-P 2yb","11","jonsc15","[(4-Me-t-BuPOCOP)Ni-NCMe]+ [BF4]-","","- C25 H44 B F4 N Ni O2 P2 -","- C25 H44 B F4 N Ni O2 P2 -","- C50 H88 B2 F8 N2 Ni2 O4 P4 -","2","0.5","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0588","0.0389","","","0.0817","0.0896","","","","","","1.029","","","","has coordinates,has disorder","175921","2020-10-21","18:00:00",""
"1540467","9.9877","0.0005","15.1541","0.0007","10.2131","0.0006","90","","103.161","0.005","90","","1505.2","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N3 O6 -","- C17 H11 N3 O6 -","- C68 H44 N12 O24 -","4","1","","Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon","Synergistic catalysis: cis-cyclopropanation of benzoxazoles","Chem. Sci.","2016","7","2","984","","10.1039/C5SC03597J","","x-ray","0.71073","MoKα","","0.1725","0.1503","","","0.3307","0.3428","","","","","","1.08","","","","has coordinates","175903","2020-10-21","18:00:00",""
"1540485","10.278","0.002","15.524","0.004","18.474","0.004","90","","90","","90","","2947.6","1.1","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl O3 P2 Pd -","- C29 H39 Cl O3 P2 Pd -","- C116 H156 Cl4 O12 P8 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0372","0.0363","","","0.1018","0.1027","","","","","","1.06","","","","has coordinates","175917","2020-10-21","18:00:00",""
"1540486","8.338","0.004","13.576","0.006","14.319","0.007","81.992","0.015","83.829","0.016","75.466","0.016","1549.2","1.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H45 F6 O3 P3 Pd -","- C25 H45 F6 O3 P3 Pd -","- C50 H90 F12 O6 P6 Pd2 -","2","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0997","0.0879","","","0.141","0.1469","","","","","","1.229","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540487","8.2128","0.0013","22.725","0.004","20.504","0.004","90","","100.299","0.0019","90","","3765.1","1.2","93","","93","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C31 H51 Cl2 F6 N O3 P3 Pd -","- C31 H51 Cl2 F6 N O3 P3 Pd -","- C124 H204 Cl8 F24 N4 O12 P12 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0269","0.0256","","","0.0569","0.0581","","","","","","1.032","","","","has coordinates","175917","2020-10-21","18:00:00",""
"1540488","11.521","0.003","16.475","0.004","22.564","0.006","90","","99.836","0.004","90","","4219.9","1.9","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Cl5 F6 O5 P3 Pd -","- C35 H47 Cl5 F6 O5 P3 Pd -","- C140 H188 Cl20 F24 O20 P12 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0614","0.0572","","","0.1488","0.1522","","","","","","1.094","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540489","14.361","0.003","22.678","0.005","25.532","0.006","90","","90","","90","","8315","3","93","","93","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H44 F12 N O3 P3 Pd -","- C38 H44 F12 N O3 P3 Pd -","- C304 H352 F96 N8 O24 P24 Pd8 -","8","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.09","0.083","","","0.1731","0.177","","","","","","1.306","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540492","8.2586","0.0009","15.8638","0.0017","9.4209","0.001","90","","113.19","0.001","90","","1134.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Fe2(C2O4)3](H2O)6","","","- C10 H26 Fe2 N2 O18 -","- C10 H26 Fe2 N2 O18 -","- C20 H52 Fe4 N4 O36 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi","A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework","Chem. Sci.","2016","7","2","1349","","10.1039/C5SC03325J","","","0.71069","MoKα","","0.0205","0.0196","","","0.0529","0.0535","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540493","8.292","0.002","15.688","0.004","9.38","0.003","90","","114.8","0.001","90","","1107.7","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Mg2(C2O4)3](H2O)6","","","- C10 H26 Mg2 N2 O18 -","- C10 Mg2 N2 O18 -","- C20 Mg4 N4 O36 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi","A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework","Chem. Sci.","2016","7","2","1349","","10.1039/C5SC03325J","","","0.7107","MoKα","","0.0839","0.0613","","","0.198","0.2502","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540494","7.3879","0.0004","15.852","0.001","41.261","0.003","90","","90.675","0.003","90","","4831.9","0.5","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","5Me-[5]CMP","","- C35 H30 -","- C35 H30 -","- C280 H240 -","8","2","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0539","0.0494","","","0.1236","0.1274","","","","","","1.097","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540495","18.861","0.011","18.861","0.011","7.446","0.005","90","","90","","120","","2294","2","93","","93","","","","","","","","","3","R -3 :H","-R 3","148","","6Me-[6]CMP","","- C44 H39 N -","- C44 H39.0001 N -","- C132 H117 N3 -","3","0.166667","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0725","0.0517","","","0.1287","0.1494","","","","","","1.078","","","","has coordinates,has disorder","175897","2020-10-21","18:00:00",""
"1540496","29.026","0.006","7.501","0.0015","33.242","0.007","90","","104.96","0.03","90","","6992","3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","7Me-[7]CMP","","- C49 H42 -","- C49 H42 -","- C392 H336 -","8","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","0.75","synchrotron","","0.0919","0.072","","","0.1942","0.2118","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540497","14.3269","0.0011","17.0916","0.0012","42.481","0.003","90","","90","","90","","10402.3","1.3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8Me-[8]CMP","","- C62.9 H62.9 Cl2.71 -","- C62.904 H62.904 Cl2.712 -","- C503.232 H503.232 Cl21.696 -","8","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0675","0.0618","","","0.1835","0.1884","","","","","","1.028","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540498","22.263","0.002","7.4477","0.0008","28.978","0.003","90","","109.502","0.003","90","","4529.1","0.8","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","9Me-[9]CMP","","- C63 H54 -","- C63 H54 -","- C252 H216 -","4","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0604","0.0534","","","0.1502","0.1562","","","","","","1.033","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540499","16.2912","0.0016","15.2859","0.0017","43.96","0.004","90","","90","","90","","10947.2","1.9","93","","93","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","3Me-[6]CMP","","- C39 H30 -","- C39 H30 -","- C624 H480 -","16","2","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.037","0.0343","","","0.0904","0.0926","","","","","","1.05","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540500","6.182","0.005","8.842","0.007","26.31","0.02","90","","90","","90","","1438","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 S -","- C15 H14 N2 O3 S -","- C60 H56 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ota, Yusuke; Komuro, Takazumi; Egawa, Fuyuki; Kanomata, Kyohei; Terada, Masahiro","Chiral Brønsted acid-catalyzed enantioselective Friedel‒Crafts reaction of 2-methoxyfuran with aliphatic ketimines generated in situ","Chem. Sci.","2016","7","2","1057","","10.1039/C5SC03175C","","","0.71075","MoKα","","0.0322","0.0308","","","0.0748","0.076","","","","","","1.07","","","","has coordinates","175909","2020-10-21","18:00:00",""
"1540515","14.501","0.004","20.18","0.006","22.027","0.007","62.892","0.004","84.149","0.004","77.27","0.004","5597","3","110.15","","110.15","","","","","","","","","3","P -1","-P 1","2","","6,9-dimethyl-16-(1-octylnonyl)-16H-dinaphtho[1,2-b:2',1'-h]-carbazole","","- C47 H55 N -","- C47 H55 N -","- C282 H330 N6 -","6","3","","Lee, Jongbok; Rajeeva, Bharath Bangalore; Yuan, Tianyu; Guo, Zi-Hao; Lin, Yen-Hao; Al-Hashimi, Mohammed; Zheng, Yuebing; Fang, Lei","Thermodynamic synthesis of solution processable ladder polymers","Chem. Sci.","2016","7","2","881","","10.1039/C5SC02385H","","","0.71073","MoKα","","0.1331","0.0916","","","0.2314","0.2748","","","","","","1.14","","","","has coordinates,has disorder","175907","2020-10-21","18:00:00",""
"1540516","10.3672","0.0014","15.451","0.002","17.504","0.002","84.827","0.006","78.441","0.005","86.992","0.006","2734.1","0.6","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 B Cl3 F6 N2 O5 -","- C24 H18 B Cl3 F6 N2 O5 -","- C96 H72 B4 Cl12 F24 N8 O20 -","4","2","","Ishihara, Kazuaki; Lu, Yanhui","Boronic acid‒DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines","Chem. Sci.","2016","7","2","1276","","10.1039/C5SC03761A","","","0.71075","MoKα","","0.06","0.0422","","","0.1116","0.1186","","","","","","1.037","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540517","11.74","0.005","21.882","0.009","28.231","0.011","90","","92.244","0.008","90","","7247","5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H26 Cl2 F N5 -","- C45 H26 Cl2 F N5 -","- C360 H208 Cl16 F8 N40 -","8","2","","Peng, Jiang; Guo, Xinyan; Jiang, Xinpeng; Zhao, Dahui; Ma, Yuguo","Developing efficient heavy-atom-free photosensitizers applicable to TTA upconversion in polymer films","Chem. Sci.","2016","7","2","1233","","10.1039/C5SC03245H","","","0.71073","MoKα","","0.2311","0.2184","","","0.5118","0.5154","","","","","","3.075","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1540518","9.568","0.004","14.645","0.004","21.564","0.006","90","","90","","90","","3021.6","1.7","93","","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 N O Si -","- C38 H35 N O Si -","- C152 H140 N4 O4 Si4 -","4","1","","Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko","Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones","Chem. Sci.","2016","7","2","1205","","10.1039/C5SC03767K","","","1.54187","CuKα","","0.0735","0.0721","","","0.1856","0.1881","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540519","6.7057","0.0004","9.395","0.0005","10.2135","0.0007","75.517","0.004","77.083","0.005","71.249","0.003","582.7","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 S2 -","- C28 H36 S2 -","- C28 H36 S2 -","1","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0558","0.0503","","","0.1284","0.1338","","","","","","0.911","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540520","6.1837","0.0006","9.106","0.0005","11.6714","0.0006","67.24","0.005","76.721","0.006","79.135","0.006","586.18","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 S2 -","- C28 H36 S2 -","- C28 H36 S2 -","1","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.5418","CuKα","","0.0631","0.0611","","","0.1658","0.1693","","","","","","0.928","","","","has coordinates","175911","2020-10-21","18:00:00",""
"1540521","5.4552","0.0002","9.113","0.0003","24.9685","0.0008","80.515","0.002","88.025","0.002","77.197","0.002","1193.85","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 O2 S2 -","- C28 H32 O2 S2 -","- C56 H64 O4 S4 -","2","1","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0416","0.036","","","0.0987","0.1033","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540522","11.2121","0.0004","10.8647","0.0002","19.8947","0.0004","90","","92.346","0.002","90","","2421.46","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O2 S2 -","- C28 H32 O2 S2 -","- C112 H128 O8 S8 -","4","1","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0632","0.0417","","","0.0976","0.108","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540523","21.1876","0.0007","4.6865","0.0002","20.8975","0.0008","90","","91.004","0.002","90","","2074.71","0.14","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0625","0.0509","","","0.1364","0.1451","","","","","","1.129","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540531","16.151","0.003","9.5824","0.0019","16.403","0.003","90","","111.38","0.03","90","","2363.9","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl N O P Pd -","- C25 H29 Cl N O P Pd -","- C100 H116 Cl4 N4 O4 P4 Pd4 -","4","1","","Peng, Jing; Chen, Chao; Xi, Chanjuan","β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst","Chem. Sci.","2016","7","2","1383","","10.1039/C5SC03903G","","","0.71073","MoKα","","0.0312","0.0291","","","0.0802","0.0818","","","","","","1.043","","","","has coordinates","175900","2020-10-21","18:00:00",""
"1540532","35.188","0.007","7.4837","0.0015","16.526","0.003","90","","98.87","0.03","90","","4299.9","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47 H65 N O5 -","- C47 H65 N O5 -","- C188 H260 N4 O20 -","4","1","","Peng, Jing; Chen, Chao; Xi, Chanjuan","β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst","Chem. Sci.","2016","7","2","1383","","10.1039/C5SC03903G","","","0.71073","MoKα","","0.1218","0.0992","","","0.2153","0.2303","","","","","","1.051","","","","has coordinates","175900","2020-10-21","18:00:00",""
"1540538","34.19","0.004","32.89","0.004","44.013","0.005","90","","110.32","0.003","90","","46413","9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C1202 H1152 Cl36 Mn96 N192 O448 -","8","2","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.2135","0.074","","","0.1617","0.1886","","","","","","0.624","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540539","16.0232","0.0017","41.093","0.004","13.0506","0.0014","90","","110.908","0.002","90","","8027.2","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H86 Mn6 N10 O26 -","- C60 H68 Mn6 N8 O24 -","- C240 H272 Mn24 N32 O96 -","4","0.5","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.065","0.046","","","0.1276","0.1337","","","","","","1.08","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540540","16.7797","0.0018","16.9615","0.0018","20.538","0.004","93.849","0.003","105.068","0.003","116.263","0.002","4948.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H98 Cl10 Mn6 N10 O32 -","- C68 H70 Cl2 Mn6 N10 O30 -","- C136 H140 Cl4 Mn12 N20 O60 -","2","1","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.0937","0.0732","","","0.2028","0.2163","","","","","","1.112","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540541","42.112","0.003","26.498","0.0016","30.5334","0.0018","90","","127.707","0.001","90","","26956","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C206 H252 Cl44 Mn12 N24 O48 -","- C188.6 H217.8 Cl8 Mn12 N24 O56 -","- C754.4 H871.2 Cl32 Mn48 N96 O224 -","4","0.5","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.0845","0.0511","","","0.1321","0.1411","","","","","","1.001","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540542","12.4983","0.0008","12.6057","0.0009","18.1384","0.0012","98.507","0.002","92.517","0.0019","95.084","0.0019","2810.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H94 Au B F4 N2 O3 -","- C58 H94 Au B F4 N2 O3 -","- C116 H188 Au2 B2 F8 N4 O6 -","2","1","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.0793","0.0671","","","0.1527","0.1577","","","","","","1.212","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540543","20.0066","0.0006","16.2975","0.0005","20.6068","0.0006","90","","119.023","0.0014","90","","5875.3","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H98 Au N2 O3.5 -","- C46 H70 Au N2 -","- C184 H280 Au4 N8 -","4","0.5","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.0566","0.0474","","","0.1178","0.1209","","","","","","1.154","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540544","15.393","0.004","14.569","0.004","24.605","0.006","90","","106.993","0.005","90","","5277","2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Au B Cl4 F4 N2 -","- C50 H74 Au B Cl4 F4 N2 -","- C200 H296 Au4 B4 Cl16 F16 N8 -","4","1","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.1203","0.0499","","","0.0979","0.1179","","","","","","1.007","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540545","9.726","0.005","17.928","0.009","17.689","0.009","90","","90.136","0.008","90","","3084","3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 B Cl Mg N6 -","- C27 H43 B Cl Mg N6 -","- C108 H172 B4 Cl4 Mg4 N24 -","4","2","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.0667","0.0541","","","0.1405","0.1531","","","","","","1.048","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540546","9.422","0.003","30.397","0.009","9.544","0.003","90","","98.992","0.004","90","","2699.8","1.4","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B F Mg N6 -","- C24 H40 B F Mg N6 -","- C96 H160 B4 F4 Mg4 N24 -","4","1","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.0696","0.0507","","","0.1234","0.1336","","","","","","1.036","","","","has coordinates,has disorder","175925","2020-10-21","18:00:00",""
"1540547","10.469","0.003","16.987","0.005","16.162","0.005","90","","91.359","0.004","90","","2873.4","1.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B I Mg N6 -","- C24 H40 B I Mg N6 -","- C96 H160 B4 I4 Mg4 N24 -","4","1","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.055","0.0387","","","0.0927","0.1012","","","","","","1.032","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540548","9.724","0.004","18.118","0.007","17.751","0.006","90","","90.132","0.006","90","","3127","2","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 B Br Mg N6 -","- C27 H43 B Br Mg N6 -","- C108 H172 B4 Br4 Mg4 N24 -","4","2","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C‒F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.088","0.0653","","","0.171","0.1845","","","","","","1.076","","","","has coordinates","175925","2020-10-21","18:00:00",""
"1540553","6.7708","0.0003","15.0499","0.0006","18.2635","0.0007","90","","98.942","0.004","90","","1838.43","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-methylbut-3-en-1-yl)-N-(4-nitrobenzenesulfonyl)-2-methoxyaniline","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","2","","Oda, Susumu; Franke, Jana; Krische, Michael J.","Diene hydroaminomethylation via ruthenium-catalyzed C‒C bond forming transfer hydrogenation: beyond carbonylation","Chem. Sci.","2016","7","1","136","","10.1039/C5SC03854E","","","1.54184","CuKα","","0.043","0.0406","","","0.1088","0.1112","","","","","","1.05","","","","has coordinates","175938","2020-10-21","18:00:00",""
"1540554","10.311","0.003","18.895","0.005","20.77","0.006","69.618","0.007","85.946","0.007","76.898","0.006","3694.3","1.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2319","0.112","","","0.3496","0.4207","","","","","","1.12","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540555","10.5582","0.0011","19.131","0.002","20.915","0.002","68.892","0.002","85.501","0.003","77.175","0.002","3842.8","0.7","394","","394","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2774","0.096","","","0.266","0.3982","","","","","","0.894","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540556","12.1401","0.0014","36.975","0.004","17.688","0.002","90","","102.611","0.002","90","","7748.2","1.5","403","","403","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B P -","- C40 H56 B P -","- C320 H448 B8 P8 -","8","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.443","0.1668","","","0.4463","0.5654","","","","","","1.123","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540557","10.1868","0.0007","18.7141","0.0013","20.7566","0.0015","70.748","0.002","86.972","0.002","76.006","0.002","3623.3","0.4","183","","183","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2179","0.0888","","","0.1966","0.2639","","","","","","1.004","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540560","12.9311","0.0005","22.2426","0.0007","23.2785","0.0008","90","","102.771","0.004","90","","6529.8","0.4","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H54 Cl8 I3 O2 Os P3 -","- C64.5 H54 Cl8 I3 O2 Os P3 -","- C258 H216 Cl32 I12 O8 Os4 P12 -","4","1","","Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping","Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion","Chem. Sci.","2016","7","3","1815","","10.1039/C5SC03963K","","","0.71073","MoKα","","0.0518","0.0419","","","0.103","0.1074","","","","","","1.067","","","","has coordinates,has disorder","177721","2020-10-21","18:00:00",""
"1540561","13.0217","0.0003","22.2992","0.0005","23.1406","0.0005","90","","102.857","0.002","90","","6551","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H53 Br8 Cl2 O2 Os P3 -","- C64 H53 Br8 Cl2 O2 Os P3 -","- C256 H212 Br32 Cl8 O8 Os4 P12 -","4","1","","Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping","Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion","Chem. Sci.","2016","7","3","1815","","10.1039/C5SC03963K","","","0.71073","MoKα","","0.0937","0.067","","","0.1555","0.1669","","","","","","1.062","","","","has coordinates,has disorder","211178","2020-10-21","18:00:00",""
"1540562","10.47242","0.00008","19.20658","0.00014","10.61743","0.00009","90","","94.0778","0.0007","90","","2130.18","0.03","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H53 Dy N2 O P2 Si2 -","- C42 H53 Dy N2 O P2 Si2 -","- C84 H106 Dy2 N4 O2 P4 Si4 -","2","0.5","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.0197","0.0193","","","0.0494","0.0496","","","","","","1.043","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540563","31.667","0.003","25.7439","0.0013","20.938","0.002","90","","132.786","0.016","90","","12527","4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 N4 P4 Si4 Y -","- C62 H77 N4 P4 Si4 Y -","- C496 H616 N32 P32 Si32 Y8 -","8","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.0683","0.06","","","0.1668","0.1764","","","","","","1.02","","","","has coordinates","175935","2020-10-21","18:00:00",""
"1540564","31.7145","0.0011","25.723","0.0004","20.9468","0.0007","90","","132.69","0.006","90","","12560.4","1.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 Dy N4 P4 Si4 -","- C62 H77 Dy N4 P4 Si4 -","- C496 H616 Dy8 N32 P32 Si32 -","8","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","","1.54184","CuKα","","0.0257","0.0245","","","0.064","0.065","","","","","","1.037","","","","has coordinates","175935","2020-10-21","18:00:00",""
"1540565","15.1169","0.0005","15.282","0.0005","21.1716","0.0005","98.667","0.002","94.975","0.002","93.716","0.003","4801.8","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 K N4 O10 P4 Si4 Y -","- C90 H132 K N4 O10 P4 Si4 Y -","- C180 H264 K2 N8 O20 P8 Si8 Y2 -","2","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.086","0.0734","","","0.1877","0.2045","","","","","","1.031","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540566","15.1483","0.0007","15.3041","0.0005","21.1587","0.0007","98.844","0.003","95.182","0.003","93.576","0.003","4812.6","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 Dy K N4 O10 P4 Si4 -","- C90 H132 Dy K N4 O10 P4 Si4 -","- C180 H264 Dy2 K2 N8 O20 P8 Si8 -","2","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.1057","0.0791","","","0.1888","0.2143","","","","","","1.023","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540567","16.174","0.003","17.746","0.004","17.83","0.004","65","0.03","64","0.03","81","0.03","4166","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Au25(PET)18 in the neutral charge state","","- C148 H170 Au25 O2 S36 -","- C158 H180 Au25 S18 -","- C158 H180 Au25 S18 -","1","0.5","","Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J.","Jahn‒Teller effects in Au25(SR)18","Chem. Sci.","2016","7","3","1882","","10.1039/C5SC02134K","","","0.71073","MoKα","","0.0891","0.0387","","","0.0826","0.1095","","","","","","1.031","","","","has coordinates","177732","2020-10-21","18:00:00",""
"1540568","16.8533","0.0007","17.775","0.0008","18.2364","0.0008","93.765","0.002","114.867","0.002","112.147","0.002","4424.4","0.4","120","2","120","2","","","","","","","N/A","6","P -1","-P 1","2","","Au25(PET)18 +1","","- C144 H180 Au25 F6 P S18 -","- C144 H198 Au25 F12 P2 S18 -","- C144 H198 Au25 F12 P2 S18 -","1","0.5","","Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J.","Jahn‒Teller effects in Au25(SR)18","Chem. Sci.","2016","7","3","1882","","10.1039/C5SC02134K","","","0.71073","MoKα","","0.0769","0.0482","","","0.1268","0.1501","","","","","","1.074","","","","has coordinates","177732","2020-10-21","18:00:00",""
"1540579","7.9683","0.0002","12.0495","0.0003","25.4584","0.0005","90","","90","","90","","2444.36","0.1","118","2","118","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","O-(4-nitrobenzyl)-(R)-1k","","- C26 H29 F3 N2 O5 -","- C26 H29 F3 N2 O5 -","- C104 H116 F12 N8 O20 -","4","1","","Ozawa, Jun; Tashiro, Masayuki; Ni, Jizhi; Oisaki, Kounosuke; Kanai, Motomu","Chemo- and regioselective oxygenation of C(sp3)‒H bonds in aliphatic alcohols using a covalently bound directing activator and atmospheric oxygen","Chem. Sci.","2016","7","3","1904","","10.1039/C5SC04476F","","","1.54187","CuKα","","0.1456","0.0905","","","0.2223","0.3199","","","","","","1.111","","","","has coordinates","177725","2020-10-21","18:00:00",""
"1540581","6.1983","0.0001","9.7636","0.0003","17.0724","0.0004","75.866","0.002","84.107","0.001","87.755","0.001","996.5","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 N2 O -","- C23 H34 N2 O -","- C46 H68 N4 O2 -","2","1","","Race, Nicholas J.; Faulkner, Adele; Shaw, Megan H.; Bower, John F.","Dichotomous mechanistic behavior in Narasaka‒Heck cyclizations: electron rich Pd-catalysts generate iminyl radicals","Chem. Sci.","2016","7","2","1508","","10.1039/C5SC04037J","","","0.71073","MoKα","","0.0429","0.037","","","0.0941","0.0985","","","","","","1.041","","","","has coordinates","175894","2020-10-21","18:00:00",""
"1540585","10.9903","0.0019","17.558","0.003","19.758","0.004","99.562","0.003","105.779","0.003","107.217","0.003","3376.1","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.5 H36 N3 S5 Sc3 -","- C109.5 H36 N3 S5 Sc3 -","- C219 H72 N6 S10 Sc6 -","2","1","","Chen, Muqing; Bao, Lipiao; Ai, Min; Shen, Wangqiang; Lu, Xing","Sc3N@Ih-C80as a novel Lewis acid to trap abnormal N-heterocyclic carbenes: the unprecedented formation of a singly bonded [6,6,6]-adduct","Chem. Sci.","2016","7","3","2331","","10.1039/C5SC04070A","","","0.71073","MoKα","","0.1272","0.0784","","","0.205","0.2401","","","","","","1.046","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1540586","7.7762","0.0003","19.2554","0.0008","7.6287","0.0003","90","","98.728","0.002","90","","1129.05","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F3 I N -","- C11 H7 F3 I N -","- C44 H28 F12 I4 N4 -","4","1","","Jacquet, Jérémy; Blanchard, Sébastien; Derat, Etienne; Desage-El Murr, Marine; Fensterbank, Louis","Redox-ligand sustains controlled generation of CF3radicals by well-defined copper complex","Chem. Sci.","2016","7","3","2030","","10.1039/C5SC03636D","","","0.71073","MoKα","","0.0323","0.025","","","0.0516","0.0545","","","","","","1.046","","","","has coordinates","177726","2020-10-21","18:00:00",""
"1540655","20.447","0.0001","20.447","0.0001","20.447","0.0001","90","","90","","90","","8548.48","0.07","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","[Cp2Co]3[In3(BTC)4]","","- C22 H14 Co In O8 -","- C22 H14 Co In O8 -","- C264 H168 Co12 In12 O96 -","12","0.25","","Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.","Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF","Chem. Sci.","2016","7","3","2037","","10.1039/C5SC03494A","","","0.6889","synchrotron","","0.0362","0.0349","","","0.1184","0.1197","","","","","","1.188","","","","has coordinates,has disorder","177716","2020-10-21","18:00:00",""
"1540656","20.4031","0.0002","20.4031","0.0002","20.4031","0.0002","90","","90","","90","","8493.53","0.14","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","[(Cp2Co)x(TEA)3-x][In3(BTC)4]","","- C12 H4 Co0.28 In O8 -","- C12 H4 Co0.282 In O8 -","- C144 H48 Co3.384 In12 O96 -","12","0.25","","Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.","Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF","Chem. Sci.","2016","7","3","2037","","10.1039/C5SC03494A","","x-ray","0.71073","MoKα","","0.0651","0.0627","","","0.1998","0.2013","","","","","","1.243","","","","has coordinates","177716","2020-10-21","18:00:00",""
"1540657","38.0429","0.0009","5.96446","0.00015","19.5829","0.0005","90","","120.924","0.0007","90","","3811.83","0.17","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 F2 N O5 S -","- C17 H23 F2 N O5 S -","- C136 H184 F16 N8 O40 S8 -","8","1","","Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio","Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization","Chem. Sci.","2016","7","3","2106","","10.1039/C5SC04208A","","","0.71075","MoKα","","","0.0484","","","","0.1951","","","","","","1.411","","","","has coordinates","177719","2020-10-21","18:00:00",""
"1540658","8.1328","0.0003","19.0087","0.0006","10.727","0.0004","90","","104.653","0.0009","90","","1604.39","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F4 O5 S -","- C14 H14 F4 O5 S -","- C56 H56 F16 O20 S4 -","4","1","","Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio","Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization","Chem. Sci.","2016","7","3","2106","","10.1039/C5SC04208A","","","0.71075","MoKα","","","0.0408","","","","0.1568","","","","","","1.268","","","","has coordinates","177719","2020-10-21","18:00:00",""
"1540659","56.36","0.02","9.525","0.003","42.145","0.018","90","","119.716","0.008","90","","19649","13","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104.2 H58 F20 N8 O1.45 S4 -","- C104.2 H58 F20 N8 O1.45 S4 -","- C833.6 H464 F160 N64 O11.6 S32 -","8","1","","Oh, Juwon; Mori, Hirotaka; Sung, Young Mo; Kim, Woojae; Osuka, Atsuhiro; Kim, Dongho","Switchable π-electronic network of bis(α-oligothienyl)-substituted hexaphyrins between helical versus rectangular circuit","Chem. Sci.","2016","7","3","2239","","10.1039/C5SC04263A","","","1.54187","CuKα","","0.2087","0.0988","","","0.2639","0.3403","","","","","","1.066","","","","has coordinates,has disorder","177724","2020-10-21","18:00:00",""
"1540660","10.2568","0.0009","19.4457","0.0018","15.3511","0.0014","90","","107.575","0.0012","90","","2918.9","0.5","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N2 Ni O2 -","- C32 H44 N2 Ni O2 -","- C128 H176 N8 Ni4 O8 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0505","0.0337","","","0.0731","0.0794","","","","","","1.033","","","","has coordinates","177730","2020-10-21","18:00:00",""
"1540661","15.7714","0.001","17.0164","0.0011","18.6084","0.0012","90","","90","","90","","4994","0.6","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H73 N3 Ni O -","- C56 H73 N3 Ni O -","- C224 H292 N12 Ni4 O4 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0531","0.0387","","","0.0789","0.0839","","","","","","1.024","","","","has coordinates","177730","2020-10-21","18:00:00",""
"1540662","10.3735","0.0005","18.252","0.0008","24.6774","0.0011","90","","97.1921","0.0006","90","","4635.6","0.4","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 N3 Ni O2 -","- C54 H65 N3 Ni O2 -","- C216 H260 N12 Ni4 O8 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0384","0.0312","","","0.0753","0.0795","","","","","","1.022","","","","has coordinates","177730","2020-10-21","18:00:00",""
"1540680","13.593","0.005","17.194","0.005","18.45","0.005","99.319","0.005","100.076","0.005","107.842","0.005","3933","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl14 Co N6 S2 -","- C42 H24 Co N6 S2 -","- C84 H48 Co2 N12 S4 -","2","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1824","0.1485","","","0.3876","0.4104","","","","","","1.483","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540681","13.593","0.005","17.194","0.005","18.45","0.005","99.319","0.005","100.076","0.005","107.842","0.005","3933","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl14 Co N6 S2 -","- C78 H48 Cl12 Co N6 S2 -","- C156 H96 Cl24 Co2 N12 S4 -","2","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2422","0.2181","","","0.5409","0.5584","","","","","","2.434","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540682","13.8432","0.0009","20.8218","0.0009","14.0803","0.0006","90","","96.987","0.003","90","","4028.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C94 H72 Co N6 O4 S10 -","- C42 H24 Co N6 S2 -","- C84 H48 Co2 N12 S4 -","2","0.25","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.0738","0.0697","","","0.2019","0.2056","","","","","","1.073","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540683","13.8432","0.0009","20.8218","0.0009","14.0803","0.0006","90","","96.987","0.003","90","","4028.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C94 H72 Co N6 O4 S10 -","- C67 H32 Co N6 S6 -","- C134 H64 Co2 N12 S12 -","2","0.25","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1426","0.1372","","","0.3916","0.4001","","","","","","1.572","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540684","31.601","0.004","21.039","0.004","27.275","0.005","90","","121.629","0.011","90","","15440","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Co N6 S2 -","- C42 H24 Co N6 S2 -","- C336 H192 Co8 N48 S16 -","8","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1581","0.0872","","","0.2189","0.2372","","","","","","1.054","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540685","31.601","0.004","21.039","0.004","27.275","0.005","90","","121.629","0.011","90","","15440","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Co N6 S2 -","- C70 H56 Co N6 S2 -","- C560 H448 Co8 N48 S16 -","8","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2071","0.1359","","","0.3739","0.4006","","","","","","1.207","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540686","11.653","0.004","13.567","0.006","13.662","0.006","94.5","0.02","94.78","0.02","111.12","0.02","1994.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H64 Co N14 S2 -","- C42 H24 Co N6 S2 -","- C42 H24 Co N6 S2 -","1","0.5","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2098","0.1702","","","0.383","0.4078","","","","","","1.884","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540695","11.045","0.002","12.916","0.003","14.84","0.003","90","","111.48","0.03","90","","1970","0.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(4-fluoro-3-oxoisochroman-4-yl)-N-(phenylsulfonyl)benzenesulfonamide","","- C21 H16 F N O6 S2 -","- C21 H16 F N O6 S2 -","- C84 H64 F4 N4 O24 S8 -","4","1","","Chen, Gui; Song, Jinshuai; Yu, Yinghua; Luo, Xuesong; Li, Chunsen; Huang, Xueliang","Aminofluorination: transition-metal-free N‒F bond insertion into diazocarbonyl compounds","Chem. Sci.","2016","7","3","1786","","10.1039/C5SC04237B","","","0.71073","MoKα","","0.0945","0.0556","","","0.1238","0.1473","","","","","","1.003","","","","has coordinates","177717","2020-10-21","18:00:00",""
"1540697","8.1717","0.0003","24.8088","0.001","11.6477","0.0005","90","","94.354","0.004","90","","2354.52","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Dy","","- C27 H34 As Dy -","- C27 H34 As Dy -","- C108 H136 As4 Dy4 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0302","0.0252","","","0.0516","0.0545","","","","","","1.05","","","","has coordinates,has disorder","177714","2020-10-21","18:00:00",""
"1540698","14.9242","0.0003","18.6105","0.0004","23.7155","0.0005","90","","103.461","0.002","90","","6406","0.2","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Dy","","- C70 H83 As3 Dy3 -","- C70 H83 As3 Dy3 -","- C280 H332 As12 Dy12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.043","0.0384","","","0.0894","0.1035","","","","","","1.117","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540699","22.451","0.0004","15.8357","0.0003","28.0477","0.0005","90","","95.47","0.002","90","","9926.3","0.3","150.01","0.11","150.01","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Dy","","- C99 H147 As3 Dy3 Li3 O9 -","- C99 H147 As3 Dy3 Li3 O9 -","- C396 H588 As12 Dy12 Li12 O36 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0374","0.0303","","","0.0622","0.0648","","","","","","1.102","","","","has coordinates,has disorder","177714","2020-10-21","18:00:00",""
"1540700","14.8845","0.0013","18.4953","0.0014","23.4214","0.0018","90","","103.098","0.008","90","","6280","0.9","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Dy","","- C70 H83 Dy3 Se3 -","- C70 H83 Dy3 Se3 -","- C280 H332 Dy12 Se12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0512","0.0401","","","0.0806","0.087","","","","","","1.021","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540701","14.9029","0.0001","18.4253","0.0001","23.423","0.0002","90","","103.035","0.001","90","","6266","0.08","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Y","","- C70 H83 Se3 Y3 -","- C70 H83 Se3 Y3 -","- C280 H332 Se12 Y12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","1.54178","CuKα","","0.0225","0.0224","","","0.0582","0.0582","","","","","","1.076","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540707","24.4634","0.0019","6.1982","0.0004","25.443","0.002","90","","90","","90","","3857.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","hd_bam","hd_bam_0ma","","- C21 H16 F2 N4 O4 -","- C21 H16 F2 N4 O4 -","- C168 H128 F16 N32 O32 -","8","1","","Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko","Catalytic activation of a single C‒F bond in trifluoromethyl arenes","Chem. Sci.","2016","7","1","505","","10.1039/C5SC03415A","","","0.71073","MoKα","","0.1047","0.0487","","","0.0925","0.1112","","","","","","1.003","","","","has coordinates","171583","2020-10-21","18:00:00",""
"1540708","23.597","0.003","14.073","0.002","19.874","0.003","90","","93.283","0.002","90","","6588.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cs3 O6 -","- C32 H38 Cs3 O6 -","- C256 H304 Cs24 O48 -","8","1","","Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Supramolecular trap for a transient corannulene trianion","Chem. Sci.","2016","7","3","1954","","10.1039/C5SC04385A","","","0.71073","Mo-Kα","","0.0598","0.0449","","","0.0978","0.1052","","","","","","1.09","","","","has coordinates","177723","2020-10-21","18:00:00",""
"1540715","28.4784","0.0007","28.4784","0.0007","13.6334","0.0004","90","","90","","90","","11057","0.5","200.01","0.1","200.01","0.1","","","","","","","","5","I 41/a","-I 4ad","88","","Sr-NDI","","- C44 H44 N4 O23 Sr2 -","- C44 H44 N4 O23 Sr2 -","- C352 H352 N32 O184 Sr16 -","8","","","Garai, Bikash; Mallick, Arijit; Banerjee, Rahul","Photochromic metal‒organic frameworks for inkless and erasable printing","Chem. Sci.","2016","7","3","2195","","10.1039/C5SC04450B","","x-ray","0.71073","MoKα","","0.181","0.1393","","","0.3624","0.3919","","","","","","0.93","","","","has coordinates","177715","2020-10-21","18:00:00",""
"1540716","7.645","0.005","11.246","0.005","12.326","0.005","95.39","0.005","105.282","0.005","93.459","0.005","1013.7","0.9","327","2","327","2","","","","","","","","7","P -1","-P 1","2","","DSF","","- C17 H19 F6 N2 O P S2 -","- C17 H19 F6 N2 O P S2 -","- C34 H38 F12 N4 O2 P2 S4 -","2","1","","Li, Dandan; Tian, Xiaohe; Wang, Aidong; Guan, Lijuan; Zheng, Jun; Li, Fei; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Nucleic acid-selective light-up fluorescent biosensors for ratiometric two-photon imaging of the viscosity of live cells and tissues","Chem. Sci.","2016","7","3","2257","","10.1039/C5SC03956H","","","0.71069","MoKα","","0.0943","0.0733","","","0.2026","0.2238","","","","","","1.042","","","","has coordinates","177728","2020-10-21","18:00:00",""
"1540719","9.617","0.011","16.2","0.019","37.85","0.05","90","","90","","90","","5897","12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","chemosensor S2","","- C61 H44 Cl3 N7 O11 -","- C61 H44 Cl3 N7 O11 -","- C244 H176 Cl12 N28 O44 -","4","1","","Akdeniz, Ali; Minami, Tsuyoshi; Watanabe, Sagiri; Yokoyama, Maki; Ema, Tadashi; Anzenbacher, Pavel","Determination of enantiomeric excess of carboxylates by fluorescent macrocyclic sensors","Chem. Sci.","2016","7","3","2016","","10.1039/C5SC04235F","","","0.71075","MoKα","","0.2332","0.1267","","","0.2376","0.2814","","","","","","1.369","","","","has coordinates","177727","2020-10-21","18:00:00",""
"1540747","15.0884","0.0011","31.4527","0.0015","18.2241","0.0014","90","","104.352","0.007","90","","8378.7","1","100","0.3","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75.66 H95.66 B2 Cl10.97 F8 N8 Ni2 -","- C75.657 H95.657 B2 Cl10.971 F8 N8 Ni2 -","- C302.628 H382.628 B8 Cl43.884 F32 N32 Ni8 -","4","1","","Wicht, Richard; Bahnmüller, Stefanie; Brandhorst, Kai; Schweyen, Peter; Bröring, Martin","Cationic nickel porphyrinoids with unexpected reactivity","Chem. Sci.","2016","7","1","583","","10.1039/C5SC03663A","","","1.54184","CuKα","","0.0946","0.066","","","0.165","0.1844","","","","","","1.028","","","","has coordinates,has disorder","171863","2020-10-21","18:00:00",""
"1540748","9.666","0.0004","17.7362","0.0008","17.9259","0.0007","90","","104.302","0.002","90","","2977.9","0.2","100.08","","100.08","","","","","","","","","6","P 1 n 1","P -2yac","7","[(18-crown-6)K]2[Fe(C3S5)2]","","","- C42 H72 Fe K2 O15 S10 -","- C42 H72 Fe K2 O15 S10 -","- C84 H144 Fe2 K4 O30 S20 -","2","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.0425","0.0329","","","0.0852","0.1227","","","","","","1.158","","","","has coordinates,has disorder","171864","2020-10-21","18:00:00",""
"1540749","9.5532","0.0003","16.9392","0.0006","19.2199","0.0007","64.7735","0.0007","78.6184","0.0008","78.0782","0.0008","2731.85","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","(Ph4P)2[Fe(dmit)2](MeCN)","","","- C56 H43 Fe N P2 S10 -","- C56 H43 Fe N P2 S10 -","- C112 H86 Fe2 N2 P4 S20 -","2","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.033","0.0252","","","0.0574","0.0611","","","","","","1.033","","","","has coordinates,has disorder","171864","2020-10-21","18:00:00",""
"1540750","8.573","0.0005","32.0602","0.0017","17.6411","0.0009","90","","98.509","0.003","90","","4795.3","0.5","100","2","100.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Bu4N)2[Fe(C3S5)2]","","","- C38 H72 Fe N2 S10 -","- C38 H72 Fe N2 S10 -","- C152 H288 Fe4 N8 S40 -","4","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.0451","0.0334","","","0.0772","0.0841","","","","","","1.094","","","","has coordinates","171864","2020-10-21","18:00:00",""
"1541883","7.2942","0.0011","12.3961","0.0018","13.909","0.002","90","","90","","90","","1257.6","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene","Chem. Sci.","2016","7","4","2717","","10.1039/C5SC03658E","","","0.71073","MoKα","","0.0328","0.0308","","","0.0738","0.0751","","","","","","1.024","","","","has coordinates","181578","2020-10-21","18:00:00",""
"1541884","10.52245","0.00015","10.52245","0.00015","48.9522","0.0016","90","","90","","90","","5420.1","0.2","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H28 I N O9 -","- C24 H28 I N O9 -","- C192 H224 I8 N8 O72 -","8","1","","Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene","Chem. Sci.","2016","7","4","2717","","10.1039/C5SC03658E","","x-ray","1.54184","CuKα","","0.0679","0.0614","","","0.1629","0.1685","","","","","","1.037","","","","has coordinates","181578","2020-10-21","18:00:00",""
"1541885","9.3038","0.0005","14.9607","0.0008","16.6489","0.0009","90","","91.195","0.002","90","","2316.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Au N O P -","- C23 H35 Au N O P -","- C92 H140 Au4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0281","0.0203","","","0.04","0.0426","","","","","","1.023","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1541886","10.7215","0.0007","13.536","0.0007","19.0499","0.0012","90","","90","","90","","2764.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Au N O P -","- C28 H43 Au N O P -","- C112 H172 Au4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0378","0.0358","","","0.0658","0.0666","","","","","","1.321","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541887","9.1985","0.0007","15.0111","0.0011","16.6696","0.0013","90","","90.736","0.003","90","","2301.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Cu N O P -","- C23 H35 Cu N O P -","- C92 H140 Cu4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","1.54178","CuKα","","0.0261","0.0255","","","0.0684","0.0689","","","","","","1.05","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541888","23.2392","0.0006","23.2392","0.0006","27.9791","0.001","90","","90","","120","","13086","0.7","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C81 H129 Au3 N3 P -","- C81 H129 Au3 N3 P -","- C486 H774 Au18 N18 P6 -","6","0.333333","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0477","0.0384","","","0.0868","0.0899","","","","","","1.027","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1541889","12.6627","0.0014","16.2794","0.0015","23.264","0.003","90","","98.409","0.003","90","","4744.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H79 Cu N5 O P -","- C49 H79 Cu N5 O P -","- C196 H316 Cu4 N20 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.1331","0.0632","","","0.1133","0.1379","","","","","","1.029","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1541890","9.4619","0.0004","13.4134","0.0006","16.9001","0.0008","90","","101.411","0.002","90","","2102.5","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 Cu N2 O2 P -","- C46 H70 Cu N2 O2 P -","- C92 H140 Cu2 N4 O4 P2 -","2","0.5","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.1097","0.0893","","","0.2022","0.2121","","","","","","1.249","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541891","14.7478","0.0002","14.7478","0.0002","40.2121","0.001","90","","90","","90","","8746","0.3","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C46 H43 Au B F15 N O P -","- C46 H43 Au B F15 N O P -","- C368 H344 Au8 B8 F120 N8 O8 P8 -","8","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0593","0.0437","","","0.0894","0.0952","","","","","","1.131","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541892","26.7657","0.0013","16.5433","0.0013","21.479","0.0013","90","","107.104","0.003","90","","9090.1","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C96 H86 B2 Cu2 F30 N2 O2 P2 -","- C96 H86 B2 Cu2 F30 N2 O2 P2 -","- C384 H344 B8 Cu8 F120 N8 O8 P8 -","4","0.5","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0527","0.0347","","","0.0868","0.1059","","","","","","1.098","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1541893","10.1044","0.0005","14.1614","0.0007","15.802","0.0007","111.476","0.004","93.948","0.004","104.766","0.004","2001.36","0.19","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","iPr(PDI)Co(PCO)","","- C42 H59 Co N3 O3 P -","- C42 H59 Co N3 O3 P -","- C84 H118 Co2 N6 O6 P2 -","2","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","x-ray","0.71073","MoKα","","0.0852","0.0712","","","0.1356","0.1417","","","","","","1.158","","","","has coordinates,has disorder","177722","2020-10-21","18:00:00",""
"1541894","13.7808","0.0013","12.3485","0.0016","16.5685","0.0019","90","","96.53","0.004","90","","2801.2","0.6","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(MePDI)IrCO]2(μ-P2)","[(MePDI)IrCO]2(μ-P2)","","- C30 H35 Ir N3 O2 P -","- C30 H35 Ir N3 O2 P -","- C120 H140 Ir4 N12 O8 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0511","0.0321","","","0.0459","0.0471","","","","","","1.937","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541896","14.1613","0.0012","21.6112","0.0018","15.3855","0.0013","90","","114.339","0.0011","90","","4290.1","0.6","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.05 H38.1 Cl2 Fe N10 O11.35 -","- C40.05 H38.1 Cl2 Fe N10 O11.35 -","- C160.2 H152.4 Cl8 Fe4 N40 O45.4 -","4","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.0902","0.0767","","","0.2215","0.2351","","","","","","1.05","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541897","15.717","0.003","20.127","0.003","24.672","0.004","90","","90.353","0.01","90","","7804","2","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1998","0.1521","","","0.3468","0.3892","","","","","","1.136","","","","has coordinates","181581","2020-10-21","18:00:00",""
"1541898","14.165","0.005","21.596","0.008","15.414","0.006","90","","114.29","0.004","90","","4298","3","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.75 H37.5 Cl2 Fe N10 O11.25 -","- C39.75 H37.5 Cl2 Fe N10 O11.25 -","- C159 H150 Cl8 Fe4 N40 O45 -","4","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.107","0.0771","","","0.2095","0.2322","","","","","","1.229","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541899","15.679","0.012","20.102","0.015","24.601","0.018","90","","90.221","0.008","90","","7754","10","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1349","0.0696","","","0.1604","0.2093","","","","","","1.09","","","","has coordinates","181581","2020-10-21","18:00:00",""
"1541900","13.073","0.003","13.356","0.003","14.075","0.003","71.88","0.03","69.89","0.03","70.65","0.03","2122.8","1","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1147","0.0685","","","0.1821","0.2212","","","","","","1.045","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541901","15.7","0.003","20.035","0.004","24.638","0.005","90","","90.45","0.03","90","","7750","3","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1344","0.0809","","","0.1908","0.2456","","","","","","1.065","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1541902","13.0297","0.0008","13.2995","0.0009","14.0177","0.0009","71.801","0.005","69.822","0.004","70.752","0.004","2097.8","0.2","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1228","0.1052","","","0.2974","0.3116","","","","","","1.174","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541903","12.906","0.009","13.199","0.009","14.759","0.01","71.402","0.008","68.242","0.008","67.214","0.008","2107","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1252","0.0819","","","0.2314","0.2632","","","","","","1.033","","","","has coordinates","181581","2020-10-21","18:00:00",""
"1541904","13.085","0.006","13.381","0.006","14.139","0.007","72.092","0.006","69.882","0.007","70.219","0.006","2135.6","1.7","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1404","0.0911","","","0.2534","0.2849","","","","","","1.077","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541905","10.2264","0.0003","15.4589","0.0004","17.0819","0.0004","73.0848","0.0012","88.2081","0.0014","86.3652","0.0014","2578.2","0.12","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Al F6 N3 O2 -","- C59 H60 Al F6 N3 O2 -","- C118 H120 Al2 F12 N6 O4 -","2","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","1.54178","CuKα","","0.0505","0.047","","","0.1258","0.1293","","","","","","1.02","","","","has coordinates","181583","2020-10-21","18:00:00",""
"1541906","11.2001","0.0002","12.4244","0.0002","18.0337","0.0003","101.41","0.0007","98.4568","0.0006","114.494","0.0007","2163.42","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H55 Al F3 N3 O -","- C51 H55 Al F3 N3 O -","- C102 H110 Al2 F6 N6 O2 -","2","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","1.54178","CuKα","","0.047","0.0404","","","0.1088","0.1136","","","","","","1.05","","","","has coordinates","181583","2020-10-21","18:00:00",""
"1541915","11.4437","0.0011","8.9623","0.0009","29.228","0.003","90","","94.705","0.002","90","","2987.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H56 Co N2 O4 -","- C80 H56 Co N2 O4 -","- C160 H112 Co2 N4 O8 -","2","0.5","","Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria","Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands","Chem. Sci.","2016","7","4","2793","","10.1039/C5SC03298A","","","0.7749","synchrotron","","0.0944","0.0468","","","0.1013","0.1185","","","","","","0.987","","","","has coordinates","181580","2020-10-21","18:00:00",""
"1541916","17.249","0.003","16.9","0.003","22.44","0.004","90","","108.612","0.003","90","","6199.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H55 Cl3 Co N2 O4 -","- C81 H55 Cl3 Co N2 O4 -","- C324 H220 Cl12 Co4 N8 O16 -","4","1","","Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria","Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands","Chem. Sci.","2016","7","4","2793","","10.1039/C5SC03298A","","","0.7749","synchrotron","","0.155","0.0744","","","0.1382","0.1627","","","","","","0.943","","","","has coordinates","181580","2020-10-21","18:00:00",""
"1541917","18.9677","0.0016","19.9186","0.0017","31.739","0.003","90","","95.287","0.004","90","","11940.3","1.8","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","Pyrene tetralactic acid","","","- C92 H89 N O20 Zn2 -","- C92 H89 N O20 Zn2 -","- C368 H356 N4 O80 Zn8 -","4","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Remarkably selective and enantiodifferentiating sensing of histidine by a fluorescent homochiral Zn-MOF based on pyrene-tetralactic acid","Chem. Sci.","2016","7","5","3085","","10.1039/C5SC03839A","","","0.71073","MoKα","","0.2034","0.0871","","","0.2191","0.2596","","","","","","0.801","","","","has coordinates","182627","2020-10-21","18:00:00",""
"1541930","18.2404","0.0007","22.7636","0.0007","14.3542","0.0005","90","","126.449","0.003","90","","4794.2","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","[Ni(ethylendiamine)3]3{V15Sb6O42(H2O)}*9H2O","'[Ni(C2H8N2)3]3{V15Sb6O42(H2O)}*9H2O'","","- C18 H92 N18 Ni3 O52 Sb6 V15 -","- C18 H72 N18 Ni3 O52 Sb6 V15 -","- C36 H144 N36 Ni6 O104 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0454","0.0385","","","0.0923","0.0951","","","","","","1.024","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541931","18.2302","0.0014","22.6142","0.0016","14.4067","0.0011","90","","126.36","0.007","90","","4783","0.8","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","[Co(ethylendiamine)3]3{V15Sb6O42}*9H2O","'[Co(C2H8N2)3]3{V15Sb6O42}*9H2O'","","- C18 H90 Co3 N18 O51 Sb6 V15 -","- C18 H72 Co3 N18 O51 Sb6 V15 -","- C36 H144 Co6 N36 O102 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0533","0.0453","","","0.1149","0.1187","","","","","","1.045","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541932","18.1991","0.0004","22.626","0.0006","14.3614","0.0003","90","","126.193","0.001","90","","4772.5","0.2","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","[Fe(ethylendiamine)3]3{V15Sb6O42}*9H2O","'[Fe(C2H8N2)3]3{V15Sb6O42}*9H2O'","","- C18 H90 Fe3 N18 O51 Sb6 V15 -","- C18 H72 Fe3 N18 O51 Sb6 V15 -","- C36 H144 Fe6 N36 O102 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0361","0.0324","","","0.0754","0.0768","","","","","","1.058","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541933","23.7437","0.0005","23.7437","0.0005","14.9586","0.0003","90","","90","","120","","7303.3","0.3","200","2","200","2","","","","","","","","7","P 3 2 1","P 3 2""","150","[Ni(ethylendiamine)3]3{V15Sb6O42}*xH2O","'[Ni(C2H8N2)3]3{V15Sb6O42}*xH2O'","","- C18 H72 N18 Ni3 O42 Sb6 V15 -","- C18 H72 N18 Ni3 O42 Sb6 V15 -","- C54 H216 N54 Ni9 O126 Sb18 V45 -","3","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0691","0.058","","","0.1369","0.1438","","","","","","0.987","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1542253","31.4049","0.0006","31.4049","0.0006","31.4049","0.0006","90","","90","","90","","30973.6","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C90.09 H108.55 Cl24.19 N12 O6.18 Pd6 -","- C90.084 H96.168 Cl24.168 N12 O6.17 Pd6 -","- C720.672 H769.344 Cl193.344 N96 O49.36 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0595","","","","0.1548","","","","","","1.089","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542254","31.495","0.0007","31.495","0.0007","31.495","0.0007","90","","90","","90","","31241","1.2","97","","97","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.77 H103.38 Cl21.54 N12 O4.92 Pd6 -","- C88.77 H93.54 Cl21.54 N12 O4.93 Pd6 -","- C710.16 H748.32 Cl172.32 N96 O39.44 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0917","","","","0.2429","","","","","","1.045","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542255","31.3834","0.001","31.3834","0.001","31.3834","0.001","90","","90","","90","","30910.1","1.7","95","","95","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.81 H104.7 Cl21.61 N12 O5.54 Pd6 -","- C88.806 H93.612 Cl21.612 N12 O5.52 Pd6 -","- C710.448 H748.896 Cl172.896 N96 O44.16 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.084","","","","0.2381","","","","","","1.037","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542256","31.4527","0.0016","31.4527","0.0016","31.4527","0.0016","90","","90","","90","","31115","3","100","","100","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.28 H102.34 Cl20.56 N12 O4.89 Pd6 -","- C88.29 H92.58 Cl20.58 N12 O4.8899 Pd6 -","- C706.32 H740.64 Cl164.64 N96 O39.1192 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.094","","","","0.2416","","","","","","1.03","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542257","31.493","0.003","31.493","0.003","31.493","0.003","90","","90","","90","","31235","5","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.82 H106.67 Cl21.63 N12 O6.52 Pd6 -","- C88.818 H93.636 Cl21.636 N12 O6.51 Pd6 -","- C710.544 H749.088 Cl173.088 N96 O52.08 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0829","","","","0.2137","","","","","","1.047","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542258","31.3274","0.0006","31.3274","0.0006","31.3274","0.0006","90","","90","","90","","30744.9","1","97","","97","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C47.41 H49.41 Cl22.23 N6 O Pd3 -","- C47.41 H46.41 Cl22.23 N6 O Pd3 -","- C758.56 H742.56 Cl355.68 N96 O16 Pd48 -","16","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0629","","","","0.1823","","","","","","1.058","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542259","31.3922","0.0006","31.3922","0.0006","31.3922","0.0006","90","","90","","90","","30936.1","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.53 H106.99 Cl21.07 N12 O6.96 Pd6 -","- C88.53 H93.06 Cl21.06 N12 O6.97 Pd6 -","- C708.24 H744.48 Cl168.48 N96 O55.76 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0961","","","","0.2535","","","","","","1.024","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542260","31.3469","0.0008","31.3469","0.0008","31.3469","0.0008","90","","90","","90","","30802.3","1.4","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.34 H103.54 Cl20.68 N12 O5.43 Pd6 -","- C88.338 H92.676 Cl20.676 N12 O5.4299 Pd6 -","- C706.704 H741.408 Cl165.408 N96 O43.4392 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0799","","","","0.212","","","","","","1.073","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542261","31.4043","0.0006","31.4043","0.0006","31.4043","0.0006","90","","90","","90","","30971.9","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.49 H103.18 Cl20.98 N12 O5.1 Pd6 -","- C88.488 H92.976 Cl20.976 N12 O5.0998 Pd6 -","- C707.904 H743.808 Cl167.808 N96 O40.7984 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0835","","","","0.2102","","","","","","1.016","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542262","31.4477","0.0006","31.4477","0.0006","31.4477","0.0006","90","","90","","90","","31100.4","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.52 H103.31 Cl21.04 N12 O5.14 Pd6 -","- C88.518 H93.036 Cl21.036 N12 O5.1299 Pd6 -","- C708.144 H744.288 Cl168.288 N96 O41.0392 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0758","","","","0.1999","","","","","","1.07","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542263","15.9195","0.0004","13.7674","0.0003","17.3771","0.0004","90","","90","","90","","3808.54","0.15","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24.5 H17 Cl N O S0.5 -","- C24.5 H17 Cl N O S0.5 -","- C196 H136 Cl8 N8 O8 S4 -","8","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","x-ray","1.54184","CuKα","","0.0606","0.0541","","","0.1459","0.1522","","","","","","1.056","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542264","8.1912","0.0003","20.1704","0.0006","18.0457","0.0006","90","","97.807","0.003","90","","2953.87","0.17","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N2 O2 S3 -","- C36 H24 N2 O2 S3 -","- C144 H96 N8 O8 S12 -","4","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","","1.54178","CuKα","","0.0543","0.0429","","","0.1103","0.1197","","","","","","1.017","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542265","19.365","0.004","12.947","0.003","13.257","0.003","90","","106.41","0.03","90","","3188.4","1.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 N2 O2 S2 -","- C42 H28 N2 O2 S2 -","- C168 H112 N8 O8 S8 -","4","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","","0.71073","MoKα","","0.0682","0.0479","","","0.1133","0.1255","","","","","","1.052","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542271","11.3075","0.0007","17.5868","0.0011","20.908","0.0013","90","","90","","90","","4157.8","0.4","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H34 Cr N4 -","- C18 H34 Cr N4 -","- C144 H272 Cr8 N32 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0858","0.049","","","0.1197","0.1454","","","","","","1.044","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542272","13.565","0.0011","13.6133","0.0011","14.3228","0.0011","117.74","0.001","103.515","0.001","90.421","0.001","2255.3","0.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H150 Cr2 K2 N12 O12 -","- C77 H150 Cr2 K2 N12 O12 -","- C77 H150 Cr2 K2 N12 O12 -","1","0.5","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0771","0.0507","","","0.1309","0.1512","","","","","","1.03","","","","has coordinates,has disorder","181586","2020-10-21","18:00:00",""
"1542273","16.6334","0.0014","14.8352","0.0012","18.1191","0.0015","90","","90","","90","","4471.1","0.6","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cr N4 O -","- C20 H36 Cr N4 O -","- C160 H288 Cr8 N32 O8 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0533","0.0405","","","0.1057","0.1168","","","","","","1.042","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542274","10.3071","0.0009","27.649","0.002","18.4003","0.0016","90","","99.891","0.001","90","","5165.8","0.7","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Cr N4 O -","- C23 H42 Cr N4 O -","- C184 H336 Cr8 N32 O8 -","8","2","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0591","0.0434","","","0.112","0.1238","","","","","","1.035","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542275","20.862","0.003","10.4975","0.0017","16.69","0.003","90","","90","","90","","3655.1","1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C168 H176 N32 O8 -","8","1","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0867","0.0503","","","0.1068","0.1232","","","","","","1.041","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542276","7.4546","0.0004","18.7124","0.001","34.4314","0.0019","90","","91.776","0.003","90","","4800.6","0.4","100","2","99.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H28 N4 O5 S -","- C25 H28 N4 O5 S -","- C200 H224 N32 O40 S8 -","8","4","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0796","0.0585","","","0.1154","0.1245","","","","","","1.043","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542277","13.2995","0.0005","10.5425","0.0004","16.004","0.0006","90","","93.024","0.002","90","","2240.8","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N3 O3 S -","- C25 H29 N3 O3 S -","- C100 H116 N12 O12 S4 -","4","1","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3‒ rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0527","0.0428","","","0.0953","0.1009","","","","","","1.051","","","","has coordinates","177729","2020-10-21","18:00:00",""
"1542280","7.9375","0.0003","8.7365","0.0004","12.1972","0.0005","102.684","0.002","107.187","0.002","103.796","0.002","745.41","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 N6 Na O6 V -","- C10 H16 N6 Na O6 V -","- C20 H32 N12 Na2 O12 V2 -","2","1","","Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.","Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution","Chem. Sci.","2016","7","4","2775","","10.1039/C5SC03958D","","","0.7749","synchrotron","","0.0301","0.0263","","","0.0707","0.0729","","","","","","1.034","","","","has coordinates","181584","2020-10-21","18:00:00",""
"1542281","15.0543","0.0008","5.507","0.0003","10.1794","0.0005","90","","101.569","0.003","90","","826.77","0.08","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NaO2(cyclciAO)","NaO2(cyclciAO)","","- C5 H7 N3 Na O4 V -","- C5 H7 N3 Na O4 V -","- C20 H28 N12 Na4 O16 V4 -","4","1","","Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.","Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution","Chem. Sci.","2016","7","4","2775","","10.1039/C5SC03958D","","","0.71073","MoKα","","0.0485","0.033","","","0.0955","0.1112","","","","","","0.963","","","","has coordinates","181584","2020-10-21","18:00:00",""
"1542294","9.8336","0.0006","14.2701","0.0009","16.3902","0.001","83.637","0.002","85.505","0.002","83.306","0.002","2265.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th1-TIPS","","- C48 H66 S3 Si2 -","- C48 H66 S3 Si2 -","- C96 H132 S6 Si4 -","2","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","0.71073","MoKα","","0.0888","0.0591","","","0.1306","0.1444","","","","","","1.04","","","","has coordinates","182625","2020-10-21","18:00:00",""
"1542295","7.4217","0.0004","19.0953","0.0011","19.1877","0.0016","63.238","0.002","89.851","0.003","79.162","0.002","2374.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th2-TIPS","","- C50 H66 S4 Si2 -","- C50 H66 S4 Si2 -","- C100 H132 S8 Si4 -","2","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.1101","0.0922","","","0.2629","0.3472","","","","","","1.561","","","","has coordinates,has disorder","182625","2020-10-21","18:00:00",""
"1542296","14.9964","0.0004","18.3543","0.0005","19.3746","0.0005","96.6629","0.0012","99.0302","0.0012","98.7364","0.0011","5151.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Th3-TIPS","","- C52 H66 S5 Si2 -","- C52 H66 S5 Si2 -","- C208 H264 S20 Si8 -","4","2","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.0642","0.0442","","","0.1035","0.1145","","","","","","1.027","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1542297","6.9436","0.0002","21.6735","0.0006","33.9795","0.0008","90","","94.396","0.001","90","","5098.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","BDTh-TIPS","","- C54 H68 S4 Si2 -","- C54 H68 S4 Si2 -","- C216 H272 S16 Si8 -","4","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.068","0.0495","","","0.1206","0.1327","","","","","","1.018","","","","has coordinates,has disorder","182625","2020-10-21","18:00:00",""
"1542298","10.2218","0.0007","9.8805","0.001","20.3205","0.0016","90","","117.561","0.006","90","","1819.4","0.3","104.6","","104.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,9-bis(4-(2,2-diphenylvinyl)phenyl)-naphtho[2,3-c][1,2,5]selenadiazole","","- C50 H34 N2 Se -","- C50 H34 N2 Se -","- C100 H68 N4 Se2 -","2","0.5","","Xue, Jie; Li, Chen; Xin, Lijun; Duan, Lian; Qiao, Juan","High-efficiency and low efficiency roll-off near-infrared fluorescent OLEDs through triplet fusion","Chem. Sci.","2016","7","4","2888","","10.1039/C5SC04685H","","","0.7107","MoKα","","0.0606","0.0426","","","0.0881","0.0951","","","","","","1.077","","","","has coordinates,has disorder","181585","2020-10-21","18:00:00",""
"1542299","14.9598","0.0007","22.5882","0.0011","16.6294","0.0008","90","","112.453","0.0013","90","","5193.3","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(mfpy)2Ir(dib)]PF6","","- C57 H59 F6 Ir N7 P -","- C57 H59 F6 Ir N7 P -","- C228 H236 F24 Ir4 N28 P4 -","4","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.0706","0.0647","","","0.1706","0.1799","","","","","","1.049","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542300","13.346","0.0005","19.6302","0.0007","30.1437","0.0011","90","","90","","90","","7897.2","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[(Hbta)2Ir(dib)]OTf","","- C42 H40 F3 Ir N6 O3 S3 -","- C42 H40 F3 Ir N6 O3 S3 -","- C336 H320 F24 Ir8 N48 O24 S24 -","8","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.0228","0.0227","","","0.0588","0.059","","","","","","1.127","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542301","15.8141","0.0006","16.3895","0.0006","18.8888","0.0007","67.048","0.0019","67.5521","0.0017","82.559","0.002","4165.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","[cis-(Hbta)2Ir(dib)]OTf","","- C42 H40 F3 Ir N6 O3 S3 -","- C42 H40 F3 Ir N6 O3 S3 -","- C168 H160 F12 Ir4 N24 O12 S12 -","4","2","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.2365","0.1713","","","0.3922","0.4436","","","","","","1.036","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542302","11.6716","0.0007","12.4594","0.0008","14.7489","0.0009","74.683","0.002","86.255","0.002","83.689","0.002","2054.6","0.2","115","","115.04","","","","","","","","","7","P -1","-P 1","2","","(lpt)2Ir(dib)OTf","","- C44 H44 F3 Ir N6 O3 S3 -","- C44 H44 F3 Ir N6 O3 S3 -","- C88 H88 F6 Ir2 N12 O6 S6 -","2","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","0.71073","MoKα","","0.0126","0.0123","","","0.0307","0.0309","","","","","","1.012","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542307","23.4378","0.0004","11.3628","0.0002","14.9029","0.0004","90","","117.124","0.001","90","","3532.43","0.13","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Fox, J. C.; Gilligan, R. E.; Pitts, A. K.; Bennett, H. R.; Gaunt, M. J.","The total synthesis of K-252c (staurosporinone) via a sequential C‒H functionalisation strategy","Chem. Sci.","2016","7","4","2706","","10.1039/C5SC04399A","","","0.71073","MoKα","","0.0813","0.043","","","0.1031","0.112","","","","","","0.964","","","","has coordinates","181579","2020-10-21","18:00:00",""
"1542308","7.608","0.002","9.473","0.003","9.93","0.003","99.76","0.005","96.941","0.004","90.08","0.005","700","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Br N O4 S -","- C14 H10 Br N O4 S -","- C28 H20 Br2 N2 O8 S2 -","2","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.0399","0.0364","","","0.0881","0.09","","","","","","1.076","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542309","8.087","0.002","8.59","0.003","11.637","0.004","87.857","0.013","79.184","0.011","79.188","0.012","779.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F N O5 S -","- C16 H12 F N O5 S -","- C32 H24 F2 N2 O10 S2 -","2","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.048","0.0416","","","0.118","0.1227","","","","","","1.069","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542310","5.327","0.003","15.367","0.01","19.69","0.012","90","","90","","90","","1611.8","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl2 N O5 S -","- C16 H11 Cl2 N O5 S -","- C64 H44 Cl8 N4 O20 S4 -","4","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.0736","0.0659","","","0.153","0.1579","","","","","","1.155","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542311","8.3889","0.0004","21.3112","0.001","11.195","0.0006","90","","93.127","0.003","90","","1998.43","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45.5 H52.5 N6 O1.5 Zn -","- C45.5 H48.82 N6 O1.5 Zn -","- C91 H97.64 N12 O3 Zn2 -","2","1","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","0.6889","synchrotron","","0.0901","0.0584","","","0.1629","0.1776","","","","","","1.045","","","","has coordinates,has disorder","181587","2020-10-21","18:00:00",""
"1542312","29.307","0.005","45.11","0.009","26.896","0.006","90","","91.52","0.03","90","","35545","12","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C230 H132 F24 N37 O28 P3 S2 Zn4 -","- C230 H132 F24 N37 O28 P3 S2 Zn4 -","- C920 H528 F96 N148 O112 P12 S8 Zn16 -","4","1","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","1.54184","CuKα","","0.2138","0.1969","","","0.5204","0.5324","","","","","","2.255","","","","has coordinates","181587","2020-10-21","18:00:00",""
"1542313","35.224","0.0014","35.224","0.0014","43.354","0.002","90","","90","","120","","46584","3","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C350 H327 F24 N51 O27 S8 Zn10 -","- C345 H327 F9 N51 O12 S3 Zn10 -","- C1380 H1308 F36 N204 O48 S12 Zn40 -","4","0.333333","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","0.6889","synchrotron","","0.1292","0.1034","","","0.2721","0.2977","","","","","","1.129","","","","has coordinates,has disorder","181587","2020-10-21","18:00:00",""
"1542316","16.8108","0.0005","19.7138","0.0007","23.9394","0.0009","90","","90","","90","","7933.6","0.5","100","0.1","100","0.1","","","","","","","GeO2","6","P n m a","-P 2ac 2n","62","germanate","PKU-15","","- C12 H32 Ge13.75 N2 O31 Si1.25 -","- C12 H30 Ge14.269 N2 O31 Si0.731 -","- C96 H240 Ge114.152 N16 O248 Si5.848 -","8","1","","Liang, Jie; Xia, Wei; Sun, Junliang; Su, Jie; Dou, Maofeng; Zou, Ruqiang; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua","A multi-dimensional quasi-zeolite with 12 ×10 ×7-ring channels demonstrates high thermal stability and good gas adsorption selectivity","Chem. Sci.","2016","7","5","3025","","10.1039/C5SC04916D","","","0.71073","MoKα","","0.0741","0.0514","","","0.1222","0.1346","","","","","","1.098","","","","has coordinates","182629","2020-10-21","18:00:00",""
"1542318","11.1378","0.0003","11.3745","0.0002","13.5667","0.0003","90","","90","","90","","1718.72","0.07","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Barton, Naomi A.; Marsh, Benjamin J.; Lewis, William; Narraidoo, Nathalie; Seymour, Graham B.; Fray, Rupert; Hayes, Christopher J.","Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway?","Chem. Sci.","2016","7","5","3102","","10.1039/C5SC03463A","","x-ray","1.54184","CuKα","","0.0397","0.0391","","","0.1065","0.1074","","","","","","1.044","","","","has coordinates","182623","2020-10-21","18:00:00",""
"1542319","18.4394","0.0005","13.7828","0.0003","8.116","0.0002","90","","92.319","0.002","90","","2060.96","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 La N O9 -","- C21 H11 La O7 -","- C84 H44 La4 O28 -","4","1","","Gong, Yun-Nan; Ouyang, Ting; He, Chun-Ting; Lu, Tong-Bu","Photoinduced water oxidation by an organic ligand incorporated into the framework of a stable metal‒organic framework","Chem. Sci.","2016","7","2","1070","","10.1039/C5SC02679B","","","1.54178","CuKα","","0.0373","0.0356","","","0.0903","0.0917","","","","","","1.077","","","","has coordinates","175136","2020-10-21","18:00:00",""
"1542320","15.518","0.001","20.0893","0.0013","26.9179","0.0018","90","","104.175","0.0009","90","","8136","0.9","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H121.5 Fe2 N3.5 O6 -","- C85 H121.5 Fe2 N3.5 O6 -","- C340 H486 Fe8 N14 O24 -","4","1","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0625","0.0412","","","0.0951","0.1059","","","","","","1.013","","","","has coordinates,has disorder","175138","2020-10-21","18:00:00",""
"1542321","15.5857","0.0008","20.1236","0.0011","26.8587","0.0014","90","","104.233","0.0007","90","","8165.4","0.7","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H120 Fe N3 O6 Zn -","- C84 H120 Fe N3 O6 Zn -","- C336 H480 Fe4 N12 O24 Zn4 -","4","1","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0573","0.0429","","","0.1207","0.13","","","","","","1.035","","","","has coordinates,has disorder","175138","2020-10-21","18:00:00",""
"1542322","14.208","0.003","20.222","0.004","14.512","0.003","90","","108.954","0.003","90","","3943.4","1.4","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N4 O2 Zn -","- C41.5 H54 N4 O2 Zn -","- C166 H216 N16 O8 Zn4 -","4","2","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0503","0.0435","","","0.0978","0.1005","","","","","","1.074","","","","has coordinates","175138","2020-10-21","18:00:00",""
"1542323","18.9411","0.001","8.6917","0.0004","33.5158","0.0017","90","","90","","90","","5517.7","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0796","0.0507","","","0.1083","0.1243","","","","","","1.01","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542324","19.087","0.007","8.742","0.003","33.634","0.012","90","","90","","90","","5612","3","150","2","150.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0838","0.045","","","0.0713","0.0817","","","","","","0.864","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542325","18.969","0.006","8.681","0.003","33.397","0.01","90","","90","","90","","5499","3","180.15","","180.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.1258","0.0508","","","0.0868","0.124","","","","","","0.845","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542326","19.2853","0.0015","8.727","0.0007","33.589","0.003","90","","90","","90","","5653.1","0.8","300","2","300","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0757","0.0482","","","0.1173","0.1483","","","","","","1.046","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542327","18.967","0.003","8.6864","0.0012","33.532","0.005","90","","90","","90","","5524.6","1.4","130.15","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3_MeCN","Cobalt(II) bis(2,2';6',2""-terpyridine) tetracyanoquinodimethanide mono acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0854","0.0451","","","0.0783","0.0888","","","","","","0.872","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542328","19.074","0.006","8.705","0.003","33.611","0.01","90","","90","","90","","5581","3","190","","190","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3_MeCN","Cobalt(II) bis(2,2';6',2""-terpyridine) tetracyanoquinodimethanide mono acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0799","0.0475","","","0.071","0.0829","","","","","","1.018","","","","has coordinates","175139","2020-10-21","18:00:00",""
"1542334","20.7004","0.0008","32.7257","0.0012","14.3246","0.0005","90","","107.689","0.001","90","","9245.2","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ru(Phen)2(DPPZ)]2PF6","","- C47.5 H34.25 F12 N10.75 P2 Ru -","- C47.5 H34.25 F12 N10.75 P2 Ru -","- C380 H274 F96 N86 P16 Ru8 -","8","2","","Poynton, Fergus E.; Hall, James P.; Keane, Páraic M.; Schwarz, Christine; Sazanovich, Igor V.; Towrie, Michael; Gunnlaugsson, Thorfinnur; Cardin, Christine J.; Cardin, David J.; Quinn, Susan J.; Long, Conor; Kelly, John M.","Direct observation by time-resolved infrared spectroscopy of the bright and the dark excited states of the [Ru(phen)2(dppz)]2+light-switch compound in solution and when bound to DNA","Chem. Sci.","2016","7","5","3075","","10.1039/C5SC04514B","","","0.71073","MoKα","","0.063","0.0455","","","0.1008","0.109","","","","","","1.053","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1542335","14.59","0.003","17.504","0.004","28.499","0.006","90","","101.456","0.003","90","","7133","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34.5 Cl2.5 Cu F6 N3 O4 P -","- C33 H34.5 Cl2.5 Cu F6 N3 O4 P -","- C264 H276 Cl20 Cu8 F48 N24 O32 P8 -","8","2","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.1628","0.1095","","","0.3244","0.363","","","","","","1.267","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1542336","9.688","0.002","11.374","0.002","13.628","0.003","100.535","0.001","110.126","0.001","109.435","0.002","1252.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","1","0.5","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.0667","0.0515","","","0.1451","0.1645","","","","","","1.034","","","","has coordinates","182624","2020-10-21","18:00:00",""
"1542337","10.1938","0.0016","25.558","0.004","21.504","0.003","90","","91.243","0.002","90","","5601.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H75 Cl2 N5 O5 -","- C61 H75 Cl2 N5 O5 -","- C244 H300 Cl8 N20 O20 -","4","1","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.1553","0.084","","","0.2327","0.3066","","","","","","0.865","","","","has coordinates,has disorder","182624","2020-10-21","18:00:00",""
"1542346","14.438","0.006","15.006","0.007","16.156","0.007","104.214","0.008","92.043","0.006","94.227","0.007","3379","3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C151 H146 Cl6 N8 O12 -","- C151 H146 Cl6 N8 O12 -","- C151 H146 Cl6 N8 O12 -","1","0.5","","Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori","Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation","Chem. Sci.","2016","7","5","3240","","10.1039/C5SC04673D","","","0.71075","MoKα","","","0.0794","","","","0.23","","","","","","1.269","","","","has coordinates","182616","2020-10-21","18:00:00",""
"1542354","6.9686","0.0004","22.9724","0.0013","17.7667","0.0012","90","","96.495","0.001","90","","2825.9","0.3","173","2","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Co F6 N5 O3 P -","- C23 H28 Cl Co F6 N5 O3 P -","- C92 H112 Cl4 Co4 F24 N20 O12 P4 -","4","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","","0.71073","MoKα","","0.0788","0.0518","","","0.1385","0.1609","","","","","","1.043","","","","has coordinates","201208","2020-10-21","18:00:00",""
"1542355","28.715","0.004","28.715","0.004","7.0017","0.0009","90","","90","","90","","5773.3","1.4","173","2","173","2","","","","","","","","8","I -4","I -4","82","","","","- C21 H34 Cl3 Co F6 N5 O2 P -","- C20 H32 Cl Co F6 N5 O2 P -","- C160 H256 Cl8 Co8 F48 N40 O16 P8 -","8","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0946","0.0964","","","","","","1.07","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542356","14.9757","0.0013","10.6987","0.0013","24.941","0.003","90","","98.286","0.008","90","","3954.3","0.8","100","2","100.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Co N5 O2 -","- C20 H30 Co N5 O2 -","- C160 H240 Co8 N40 O16 -","8","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","","0.71073","MoKα","","0.1531","0.0597","","","0.07","0.0873","","","","","","0.944","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542357","12.5242","0.0014","16.7919","0.0019","18.462","0.002","90","","91.466","0.001","90","","3881.4","0.7","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 Co F12 N6 O3 P2 -","- C30 H49 Co F12 N6 O3 P2 -","- C120 H196 Co4 F48 N24 O12 P8 -","4","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","x-ray","0.71073","MoKα","","0.0827","0.0579","","","0.1515","0.1704","","","","","","1.054","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542358","14.6868","0.0018","15.5818","0.0014","17.997","0.002","69.889","0.003","66.513","0.002","67.869","0.002","3406.9","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H57 Cl2 F12 Mn N15 O3 P2 Ru2 -","- C62 H57 Cl2 F12 Mn N15 O3 P2 Ru2 -","- C124 H114 Cl4 F24 Mn2 N30 O6 P4 Ru4 -","2","1","","Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni","Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts","Chem. Sci.","2016","7","5","3304","","10.1039/C5SC04672F","","","0.71073","MoKα","","0.1549","0.0741","","","0.1992","0.2546","","","","","","1.019","","","","has coordinates,has disorder","182628","2020-10-21","18:00:00",""
"1542359","14.471","0.003","15.501","0.004","16.913","0.004","114.334","0.005","112.431","0.004","91.203","0.005","3122.9","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H50 F12 Mn N14 O5 P2 Ru2 -","- C61 H50 F12.152 Mn N14 O5 P2 Ru2 -","- C122 H100 F24.304 Mn2 N28 O10 P4 Ru4 -","2","1","","Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni","Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts","Chem. Sci.","2016","7","5","3304","","10.1039/C5SC04672F","","","0.71073","MoKα","","0.1433","0.0696","","","0.1485","0.1785","","","","","","1.036","","","","has coordinates,has disorder","182628","2020-10-21","18:00:00",""
"1542406","19.1242","0.0017","16.7581","0.0014","18.8909","0.0019","90","","90","","90","","6054.3","1","90","2","90","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C62 H80 N2 O2 P2 Si2 Th -","- C62 H80 N2 O2 P2 Si2 Th -","- C248 H320 N8 O8 P8 Si8 Th4 -","4","0.5","","Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.","Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds","Chem. Sci.","2016","7","5","3286","","10.1039/C6SC00278A","","","0.71073","MoKα","","0.066","0.0387","","","0.0761","0.085","","","","","","1.095","","","","has coordinates,has disorder","182630","2020-10-21","18:00:00",""
"1542407","18.4956","0.0002","16.94471","0.00014","18.98054","0.00016","90","","90","","90","","5948.55","0.1","90","2","90","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C59 H82 N2 O3 P2 Si2 U -","- C59 H82 N2 O3 P2 Si2 U -","- C236 H328 N8 O12 P8 Si8 U4 -","4","0.5","","Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.","Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds","Chem. Sci.","2016","7","5","3286","","10.1039/C6SC00278A","","","1.54184","CuKα","","0.0221","0.022","","","0.0585","0.0586","","","","","","1.12","","","","has coordinates,has disorder","182630","2020-10-21","18:00:00",""
"1542408","7.47301","0.0001","12.0802","0.00015","15.6344","0.0002","90","","90","","90","","1411.4","0.03","100","","100.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-methoxyphenyl 1,3-dihydro-2-benzofuran-1-ylacetate","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Weldy, N. Mace; Schafer, A. G.; Owens, C. P.; Herting, C. J.; Varela-Alvarez, A.; Chen, S.; Niemeyer, Z.; Musaev, D. G.; Sigman, M. S.; Davies, H. M. L.; Blakey, S. B.","Iridium(iii)-bis(imidazolinyl)phenyl catalysts for enantioselective C‒H functionalization with ethyl diazoacetate","Chem. Sci.","2016","7","5","3142","","10.1039/C6SC00190D","","x-ray","1.54178","CuKα","","0.0273","0.027","","","0.0668","0.067","","","","","","1.101","","","","has coordinates","182626","2020-10-21","18:00:00",""
"1542422","11.854","0.006","6.07","0.003","12.641","0.006","90","","104.097","0.006","90","","882.2","0.8","100","2","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N3 Ni O3 -","- C18 H25 N3 Ni O3 -","- C36 H50 N6 Ni2 O6 -","2","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0463","0.0345","","","0.0631","0.0662","","","","","","0.977","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542423","6.25709","0.0001","16.6261","0.0003","17.4692","0.0002","90","","90","","90","","1817.34","0.05","110","1","110","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N3 Ni O4 -","- C18 H25 N3 Ni O4 -","- C72 H100 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0577","0.0451","","","0.1251","0.1319","","","","","","1.116","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542424","11.065","0.005","13.046","0.006","20.098","0.009","90","","90","","90","","2901","2","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 N4 Ni O5 -","- C28 H42 N4 Ni O5 -","- C112 H168 N16 Ni4 O20 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0448","0.0354","","","0.0832","0.0879","","","","","","1.042","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542425","6.41635","0.00007","10.31527","0.00011","32.9233","0.0005","90","","90","","90","","2179.07","0.05","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N3 Ni O4 -","- C25 H25 N3 Ni O4 -","- C100 H100 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","1.54184","CuKα","","0.0229","0.0228","","","0.0575","0.0576","","","","","","1.094","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542426","10.1489","0.00006","12.0802","0.00007","17.62895","0.00014","90","","90","","90","","2161.32","0.02","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N3 Ni O4 -","- C25 H23 N3 Ni O4 -","- C100 H92 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","1.54184","CuKα","","0.0208","0.0205","","","0.0526","0.0528","","","","","","1.065","","","","has coordinates,has disorder","185143","2020-10-21","18:00:00",""
"1542427","16.7003","0.0009","14.0892","0.0012","9.3429","0.0006","90","","96.029","0.006","90","","2186.2","0.3","101.8","","101.8","","","","","","","","","3","C 1 c 1","C -2yc","9","","2,4-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.7107","MoKα","","0.039","0.0355","","","0.0784","0.0806","","","","","","1.055","","","","has coordinates","182619","2020-10-21","18:00:00",""
"1542428","8.4562","0.0016","7.9666","0.0014","34.004","0.006","90","","94.974","0.004","90","","2282.1","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.71073","MoKα","","0.1834","0.0746","","","0.1092","0.134","","","","","","1.05","","","","has coordinates,has disorder","182619","2020-10-21","18:00:00",""
"1542429","9.1838","0.0015","13.264","0.002","18.172","0.003","90","","97.142","0.004","90","","2196.4","0.6","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet‒triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.71073","MoKα","","0.1232","0.0584","","","0.0888","0.1029","","","","","","1.081","","","","has coordinates","182619","2020-10-21","18:00:00",""
"1542430","12.8317","0.0004","7.8512","0.0003","17.4533","0.0008","90","","90.411","0.002","90","","1758.27","0.12","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 N2 -","- C50 H32 N2 -","- C100 H64 N4 -","2","0.5","","Chen, Ying-Hsiao; Tang, Kuo-Chun; Chen, Yi-Ting; Shen, Jiun-Yi; Wu, Yu-Sin; Liu, Shih-Hung; Lee, Chun-Shu; Chen, Chang-Hsuan; Lai, Tzu-Yu; Tung, Shih-Huang; Jeng, Ru-Jong; Hung, Wen-Yi; Jiao, Min; Wu, Chung-Chih; Chou, Pi-Tai","Insight into the mechanism and outcoupling enhancement of excimer-associated white light generation","Chem. Sci.","2016","7","6","3556","","10.1039/C5SC04902D","","","0.71073","MoKα","","0.1489","0.059","","","0.1219","0.1587","","","","","","1.017","","","","has coordinates","185136","2020-10-21","18:00:00",""
"1542431","10.3052","0.001","33.5364","0.0019","10.5825","0.0011","90","","117.953","0.013","90","","3230.6","0.6","151","2","151","2","","","","","","","University of Manchester","5","P 1 21/n 1","-P 2yn","14","","[9-BBN(i-DCDM)][HBCF]","","- C33 H27 B2 F15 N2 -","- C33 H27.0001 B2 F15 N2 -","- C132 H108 B8 F60 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.71073","MoKα","","0.0985","0.0717","","0.1613","0.1491","0.1613","","","","","","1.0269","","","","has coordinates","182632","2020-10-21","18:00:00",""
"1542432","7.3696","0.0005","11.5512","0.0008","17.0873","0.0009","90","","93.641","0.005","90","","1451.67","0.16","150.01","0.13","150.01","0.13","","","","","","","University of Manchester","4","P 1 21/c 1","-P 2ybc","14","","9-BBN(H)(IMe4)","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.7107","MoKα","","0.0862","0.0516","","0.1277","0.1162","0.1277","","","","","","0.9866","","","","has coordinates","182632","2020-10-21","18:00:00",""
"1542433","8.8757","0.0006","20.3411","0.0011","10.7976","0.0007","90","","101.728","0.007","90","","1908.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","[9-BBN(I-DCDM)2][HBCF]","","- C36 H27 B2 Cl4 F15 N4 -","- C36 H27 B2 Cl4 F15 N4 -","- C72 H54 B4 Cl8 F30 N8 -","2","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.7107","MoKα","","0.0725","0.0528","","0.0879","0.0785","0.0879","","","","","","0.9775","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1542434","15.2641","0.0004","10.389","0.0003","19.5887","0.0006","90","","92.115","0.003","90","","3104.24","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,3-Me2-4,5-Cl2-imidazolium][B((C6F5)3)-Z-(2-methylstyrene)]","","- C32 H16 B Cl2 F15 N2 -","- C32 H16 B Cl2 F15 N2 -","- C128 H64 B4 Cl8 F60 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.71073","MoKα","","0.0714","0.0487","","0.1035","0.0916","0.1035","","","","","","0.9732","","","","has coordinates","182632","2020-10-21","18:00:00",""
"1542447","12.9375","0.0002","11.6146","0.0002","32.205","0.002","90","","94.227","0.007","90","","4826.1","0.3","93","2","93","2","","","","","","","None","6","P 1 21/c 1","-P 2ybc","14","28","Peptidine 28","","- C49 H60 Cl N7 O6 S3 -","- C49 H60 Cl N7 O6 S3 -","- C196 H240 Cl4 N28 O24 S12 -","4","1","","Vastl, Julian; Kartika, Rendy; Park, Kichul; Cho, Art E.; Spiegel, David A.","Peptidines: glycine-amidine-based oligomers for solution- and solid-phase synthesis","Chem. Sci.","2016","7","5","3317","","10.1039/C5SC03882K","","","1.54187","CuKα","","0.0909","0.0697","","","0.1864","0.2067","","","","","","1.086","","","","has coordinates","182617","2020-10-21","18:00:00",""
"1542448","10.5922","0.0006","12.3446","0.0008","15.3053","0.0009","107.337","0.001","90.559","0.001","90.554","0.001","1910.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Br Dy N13 O6.5 -","- C34 H30 Br Dy N13 O6.5 -","- C68 H60 Br2 Dy2 N26 O13 -","2","1","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.1017","0.0604","","","0.1185","0.1418","","","","","","1.008","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542449","30.25","0.005","17.599","0.003","20.537","0.003","90","","129.531","0.011","90","","8433","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Dy N13 O9 -","- C32 H30 Dy N13 O8.5 -","- C256 H240 Dy8 N104 O68 -","8","1","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.0769","0.0511","","","0.153","0.1661","","","","","","0.994","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542450","20.791","0.002","18.7611","0.0018","13.6144","0.0014","90","","129.032","0.002","90","","4125.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Dy F3 N12 O11 S -","- C33 H30 Dy F3 N12 O11 S -","- C132 H120 Dy4 F12 N48 O44 S4 -","4","0.5","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.0646","0.0508","","","0.139","0.1492","","","","","","1.09","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542521","8.8945","0.0002","21.16","0.0005","9.0481","0.0002","90","","91.63","0.0019","90","","1702.23","0.07","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","2","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.0451","0.0368","","","0.0783","0.0847","","","","","","1.074","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542522","7.503","0.003","10.304","0.005","10.253","0.005","90","","92.82","0.04","90","","791.7","0.6","293.02","0.1","293.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.2768","0.104","","","0.2241","0.3441","","","","","","0.959","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542523","7.5376","0.0006","10.5784","0.001","23.8774","0.0019","90","","90","","90","","1903.9","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.1427","0.0645","","","0.0978","0.13","","","","","","1.0032","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542524","6.1506","0.0018","7.564","0.002","28.362","0.008","90","","90","","90","","1319.5","0.6","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O2 -","- C15 H13 Br O2 -","- C60 H52 Br4 O8 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.56086","AgKα","","0.047","0.0357","","","0.0693","0.0739","","","","","","1.003","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542525","8.6911","0.0005","9.1112","0.0004","21.5901","0.001","90","","90","","90","","1709.64","0.15","100.01","0.16","100.01","0.16","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.1907","0.0698","","","0.1552","0.2308","","","","","","0.9793","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542526","7.0175","0.0004","11.1406","0.0006","11.9874","0.0006","90","","90","","90","","937.16","0.09","110","14","110","14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.076","0.0521","","","0.1119","0.1312","","","","","","1.067","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542539","11.1671","0.0002","7.62443","0.00014","14.6056","0.0003","90","","94.1026","0.0019","90","","1240.37","0.04","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O7 S -","- C26 H27 N O7 S -","- C52 H54 N2 O14 S2 -","2","1","","Liao, Yuting; Liu, Xiaohua; Zhang, Yu; Xu, Yali; Xia, Yong; Lin, Lili; Feng, Xiaoming","Asymmetric [3 + 2] cycloaddition of donor‒acceptor aziridines with aldehydes via carbon‒carbon bond cleavage","Chem. Sci.","2016","7","6","3775","","10.1039/C5SC04151A","","x-ray","1.54184","CuKα","","0.0534","0.0526","","","0.1353","0.1366","","","","","","1.071","","","","has coordinates","185138","2020-10-21","18:00:00",""
"1542546","10.5883","0.0014","21.967","0.002","14.4286","0.0016","90","","95.682","0.006","90","","3339.5","0.7","100","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(SAr)2][Na(12-crown-4)2]","[Cu(SAr)2][Na(12-crown-4)2]","","- C32 H50 Cu Na O8 S2 -","- C32 H50 Cu Na O8 S2 -","- C128 H200 Cu4 Na4 O32 S8 -","4","1","","Johnson, Miles W.; Hannoun, Kareem I.; Tan, Yichen; Fu, Gregory C.; Peters, Jonas C.","A mechanistic investigation of the photoinduced, copper-mediated cross-coupling of an aryl thiol with an aryl halide.","Chemical science","2016","7","7","4091","4100","10.1039/C5SC04709A","","","0.71073","MoKα","","0.1503","0.0666","","","0.0928","0.1104","","","","","","1.036","","","","has coordinates","190061","2020-10-21","18:00:00",""
"1542547","7.547","0.0008","7.886","0.0007","8.992","0.0009","66.005","0.007","85.305","0.008","83.508","0.008","485.4","0.09","180","","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","[MBqn2+](BF4)2 Methylbiquinoxen bis tetrafluoroborate","N,N'-dimethyl-3,3'-biquinoxalinium bis tetrafluoroborate","","- C18 H16 B2 F8 N4 -","- C18 H16 B2 F8 N4 -","- C18 H16 B2 F8 N4 -","1","0.5","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0504","0.0437","","","0.1188","0.1251","","","","","","1.017","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542548","7.133","0.0009","20.036","0.0016","11.526","0.0013","90","","99.454","0.009","90","","1624.9","0.3","180","2","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","direduced monoprotonated Methylbiquinoxen cation tetrafluoroborate; [MBqn0-H+]BF4","4,4?-dimethyl-1?,4?-dihydro-[2,2?-biquinoxalin]-4-ium tetrafluoroborate","","- C18 H17 B F4 N4 -","- C18 H17 B F4 N4 -","- C72 H68 B4 F16 N16 -","4","1","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0709","0.0416","","","0.1077","0.1263","","","","","","1.019","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542549","7.4683","0.0005","10.4739","0.0007","11.3249","0.0008","80.15","0.006","82.274","0.005","81.982","0.006","858.7","0.1","180","2","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","[CdCl2(MBqn)]","dichloromethylbiquinoxencadmium (II)","","- C18 H16 Cd Cl2 N4 -","- C18 H16 Cd Cl2 N4 -","- C36 H32 Cd2 Cl4 N8 -","2","1","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0329","0.0266","","","0.0648","0.0673","","","","","","1.065","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542550","12.5879","0.0006","20.8699","0.001","13.6448","0.0008","90","","93.531","0.004","90","","3577.8","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Fe N6 O6 -","- C40 H44 Fe N6 O6 -","- C160 H176 Fe4 N24 O24 -","4","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","0.71073","MoKα","","0.1007","0.0471","","","0.0897","0.1109","","","","","","1.013","","","","has coordinates","185135","2020-10-21","18:00:00",""
"1542551","10.1932","0.0019","12.318","0.002","19.654","0.004","72.773","0.004","77.793","0.004","81.49","0.004","2294.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Cl6 N6 O6 -","- C44 H38 Cl6 N6 O6 -","- C88 H76 Cl12 N12 O12 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","0.71073","MoKα","","0.145","0.0937","","","0.233","0.2589","","","","","","1.14","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542552","19.5077","0.0003","15.3419","0.0003","22.1726","0.0003","90","","95.401","0.001","90","","6606.47","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62.5 H99 Cl N6 O11 P2 -","- C62 H98 N6 O11 P2 -","- C248 H392 N24 O44 P8 -","4","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.0777","0.0603","","","0.1574","0.171","","","","","","1.029","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542553","9.9599","0.0004","14.6932","0.0006","16.4802","0.0005","81.05","0.003","75.273","0.003","88.017","0.003","2304.1","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H64.5 Cl1.5 N5 O8 P -","- C46.5 H64.5 Cl1.5 N5 O8 P -","- C93 H129 Cl3 N10 O16 P2 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.0641","0.05","","","0.1188","0.1237","","","","","","1.047","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542554","16.0755","0.0007","18.9299","0.0007","24.4976","0.0006","93.415","0.002","96.103","0.003","111.261","0.004","6869.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H151 Cl9 N14 O20 P2 -","- C119 H147 Cl9 N14 O20 P2 -","- C238 H294 Cl18 N28 O40 P4 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.1811","0.1255","","","0.3052","0.3446","","","","","","1.544","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542555","35.7365","0.0013","15.061","0.0005","30.9345","0.0011","90","","104.141","0.007","90","","16145.3","1.1","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H62.5 Cl6 I6 N12 Zn3 -","- C69 H62.5 Cl6 I6 N12 Zn3 -","- C552 H500 Cl48 I48 N96 Zn24 -","8","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","","0.71075","MoKα","","0.13","0.078","","","0.2382","0.2736","","","","","","1.065","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542556","36.3783","0.0008","14.6755","0.0002","31.2278","0.0006","90","","103.184","0.002","90","","16232.2","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132.77 H131.15 I12 N24 O15.14 Zn6 -","- C132.785 H131.15 I12 N24 O15.14 Zn6 -","- C531.14 H524.6 I48 N96 O60.56 Zn24 -","4","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","x-ray","1.54184","CuKα","","0.0562","0.0511","","","0.1352","0.1396","","","","","","1.039","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542557","34.7707","0.0006","14.8406","0.0003","31.2152","0.0005","90","","102.601","0.002","90","","15719.6","0.5","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C134.29 H138.92 I12 N24 O8.41 Zn6 -","- C134.295 H138.93 I12 N24 O8.415 Zn6 -","- C537.18 H555.72 I48 N96 O33.66 Zn24 -","4","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","","1.54184","CuKα","","0.0935","0.0788","","","0.2091","0.2259","","","","","","1.005","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542558","27.4702","0.0008","17.1432","0.0006","27.9778","0.0008","90","","90","","90","","13175.5","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N Ni O3 P3 S3 Si3 -","- C68 H74 N Ni O3 P3 S3 Si3 -","- C544 H592 N8 Ni8 O24 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0912","0.0552","","","0.1449","0.1725","","","","","","1.042","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542559","27.5733","0.0007","17.0409","0.0005","27.8585","0.0008","90","","90","","90","","13090","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C544 H592 N16 Ni8 O16 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0499","0.0382","","","0.106","0.1276","","","","","","1.171","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542560","14.316","0.0004","26.0756","0.0006","18.0992","0.0004","90","","97.069","0.002","90","","6705","0.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H78 N3 Ni O P3 S3 Si3 -","- C67 H78 N3 Ni O P3 S3 Si3 -","- C268 H312 N12 Ni4 O4 P12 S12 Si12 -","4","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0547","0.0398","","","0.1124","0.1229","","","","","","0.923","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542568","29.6046","0.0008","11.8388","0.0004","17.1781","0.0004","90","","90","","90","","6020.6","0.3","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H30 N4 S3 -","- C38 H30 N4 S3 -","- C304 H240 N32 S24 -","8","1","","Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun","Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)","Chem. Sci.","2016","7","6","3851","","10.1039/C5SC04954G","","","0.71073","MoKα","","0.1147","0.0512","","","0.1337","0.1985","","","","","","1.072","","","","has coordinates","185133","2020-10-21","18:00:00",""
"1542569","10.6919","0.0002","11.6399","0.0002","14.4791","0.0003","90.178","0.006","104.4","0.007","95.311","0.007","1737.22","0.08","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C88 H64 N12 S6 -","- C88 H64 N12 S6 -","- C88 H64 N12 S6 -","1","0.5","","Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun","Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)","Chem. Sci.","2016","7","6","3851","","10.1039/C5SC04954G","","","0.71075","MoKα","","0.0544","0.0427","","","0.105","0.1104","","","","","","1.044","","","","has coordinates","185133","2020-10-21","18:00:00",""
"1542582","11.0798","0.00008","21.9977","0.00013","11.88015","0.00009","90","","102.003","0.0007","90","","2832.25","0.03","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-({2-[1-(benzyl)pyrrolidine-2-carboxamide]-phenyl}phenylmethylene)-(S)-pentenylglycinato-N,N',N?,O}nickel(II)","","- C32 H33 N3 Ni O3 -","- C32 H33 N3 Ni O3 -","- C128 H132 N12 Ni4 O12 -","4","2","","Miles, Jennifer A.; Yeo, David J.; Rowell, Philip; Rodriguez-Marin, Silvia; Pask, Christopher M.; Warriner, Stuart L.; Edwards, Thomas A.; Wilson, Andrew J.","Hydrocarbon constrained peptides ‒ understanding preorganisation and binding affinity","Chem. Sci.","2016","7","6","3694","","10.1039/C5SC04048E","","","1.54184","CuKα","","0.0285","0.0274","","","0.0688","0.0696","","","","","","1.037","","","","has coordinates,has disorder","185140","2020-10-21","18:00:00",""
"1542583","7.7263","0.0014","11.203","0.002","11.9","0.002","94.504","0.01","108.019","0.01","93.687","0.01","972.2","0.3","110","2","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Fe3 N O7 S2 -","- C16 H11 Fe3 N O7 S2 -","- C32 H22 Fe6 N2 O14 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.038","0.0317","","","0.0756","0.0788","","","","","","1.051","","","","has coordinates,has disorder","185144","2020-10-21","18:00:00",""
"1542584","11.3103","0.0015","12.9416","0.0018","15.479","0.002","105.449","0.005","100.216","0.005","110.921","0.004","1944.2","0.5","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 Fe3 N O5 P2 S2 -","- C40 H35 Fe3 N O5 P2 S2 -","- C80 H70 Fe6 N2 O10 P4 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.0469","0.0366","","","0.0864","0.0946","","","","","","1.037","","","","has coordinates","185144","2020-10-21","18:00:00",""
"1542585","10.4593","0.0005","11.6085","0.0006","12.256","0.0006","76.988","0.002","85.341","0.002","81.75","0.002","1433.02","0.12","110.15","","110.15","","","","","","","","","8","P -1","-P 1","2","","","","- C20.2 H22.23 B F4 Fe3 N4.6 O6.72 S2 -","- C20.2 H22.234 B F4 Fe3 N4.6 O6.717 S2 -","- C40.4 H44.468 B2 F8 Fe6 N9.2 O13.434 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.0658","0.052","","","0.1487","0.1629","","","","","","1.055","","","","has coordinates,has disorder","185144","2020-10-21","18:00:00",""
"1542586","13.352","0.005","13.623","0.005","24.074","0.008","92.828","0.005","94.41","0.005","99.584","0.005","4296","3","150.15","","150.15","","","","","","","","","9","P -1","-P 1","2","","","","- C80 H75 B F24 Fe3 N O4 P4 S2 -","- C80 H75 B F24 Fe3 N O4 P4 S2 -","- C160 H150 B2 F48 Fe6 N2 O8 P8 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.1091","0.079","","","0.2135","0.2317","","","","","","1.082","","","","has coordinates","185144","2020-10-21","18:00:00",""
"1542591","10.0013","0.0012","14.5831","0.001","24.366","0.004","75.428","0.016","87.017","0.019","71.26","0.02","3255.5","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","Quadruply Phenylene-fused Porphyrin Tape","","- C79.27 H80.86 N5.59 Zn -","- C79.282 H78.252 N5.594 Zn -","- C158.564 H156.504 N11.188 Zn2 -","2","1","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.0628","0.0531","","","0.1409","0.1531","","","","","","1.018","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542592","11.0983","0.0014","34.992","0.005","32.965","0.004","90","","90","","90","","12802","3","93","2","93","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","doubly 10,12- and 18,20-phenylene-fused meso-nitoroporphyrin","","- C64.5 H68 Cl7.5 N5 Ni O2 -","- C64.5 H68 Cl7.5 N5 Ni O2 -","- C516 H544 Cl60 N40 Ni8 O16 -","8","1","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1107","0.0921","","","0.2589","0.2889","","","","","","1.047","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542593","14.734","0.006","20.554","0.008","20.788","0.009","90.073","0.008","103.209","0.015","109.518","0.005","5756","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","13,15-phenylene-fused meso-nitroporphyrin","","- C69 H77 N5 Ni O2 -","- C69 H77 N5 Ni O2 -","- C276 H308 N20 Ni4 O8 -","4","2","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1832","0.1419","","","0.3453","0.3713","","","","","","1.097","","","","has coordinates","185114","2020-10-21","18:00:00",""
"1542594","12.3714","0.0016","28.233","0.003","41.36","0.006","90","","96.168","0.004","90","","14363","3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","doubly 10,12- and 18,20-phenylene-fused meso-diphenylphosphinylporphyrin","","- C74 H77 N4 Ni O P -","- C74.6667 H80.8889 N3.55556 Ni0.888889 O2.22222 P0.888889 -","- C672 H728 N32 Ni8 O20 P8 -","9","2.25","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1063","0.0739","","","0.1927","0.233","","","","","","1.049","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542595","11.12","0.002","12.074","0.003","15.487","0.004","69.218","0.004","72.309","0.004","70.811","0.004","1794.3","0.7","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Br N O P2 Pd -","- C44 H36 Br N O P2 Pd -","- C88 H72 Br2 N2 O2 P4 Pd2 -","2","1","","Wu, Jiang; Liu, Yafei; Lu, Changhui; Shen, Qilong","Palladium-catalyzed difluoromethylthiolation of heteroaryl bromides, iodides, triflates and aryl iodides","Chem. Sci.","2016","7","6","3757","","10.1039/C6SC00082G","","","0.71073","MoKα","","0.0928","0.0544","","","0.1207","0.1383","","","","","","0.972","","","","has coordinates","185141","2020-10-21","18:00:00",""
"1542604","7.2023","0.0003","13.3209","0.0004","16.1663","0.0005","90","","93.426","0.002","90","","1548.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 O5 Rh -","- C14 H23 O5 Rh -","- C56 H92 O20 Rh4 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0376","0.0278","","","0.0463","0.0487","","","","","","1.038","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542605","28.1638","0.0009","28.1638","0.0009","8.1635","0.0003","90","","90","","120","","5607.8","0.3","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0544","0.0309","","","0.0491","0.0532","","","","","","0.611","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542606","8.2993","0.0002","8.9088","0.0002","9.3961","0.0002","102.335","0.0011","106.607","0.0011","94.5603","0.0011","643","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","1","0.5","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0176","0.0163","","","0.0388","0.0393","","","","","","1.054","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542607","7.7536","0.0003","8.2731","0.0003","14.2858","0.0005","73.2168","0.0012","78.223","0.0015","85.339","0.0008","858.63","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 I O2 -","- C10 H5 I O2 -","- C40 H20 I4 O8 -","4","2","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0164","0.0159","","","0.0403","0.0407","","","","","","1.163","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542608","8.1168","0.0003","7.9198","0.0002","15.1553","0.0005","90","","93.0671","0.0015","90","","972.84","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 I O3 -","- C11 H7 I O3 -","- C44 H28 I4 O12 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0145","0.0135","","","0.0331","0.0335","","","","","","1.049","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542609","17.2465","0.0004","16.7627","0.0003","7.5137","0.0002","90","","91.9216","0.0012","90","","2170.97","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I O3 -","- C12 H9 I O3 -","- C96 H72 I8 O24 -","8","2","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.025","0.0202","","","0.0472","0.0492","","","","","","1.029","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542610","7.7794","0.0003","9.0897","0.0003","13.9834","0.0005","90","","99.5625","0.0014","90","","975.06","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 I N O4 -","- C10 H4 I N O4 -","- C40 H16 I4 N4 O16 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0153","0.0145","","","0.0341","0.0344","","","","","","1.109","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542611","5.0752","0.0001","6.1752","0.0002","30.9217","0.0011","90","","90","","90","","969.1","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H4 Br I O2 -","- C10 H4 Br I O2 -","- C40 H16 Br4 I4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0313","0.0278","","","0.0486","0.0493","","","","","","1.127","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542612","7.1805","0.0002","8.2069","0.0003","10.2503","0.0003","67.006","0.002","88.761","0.002","69.374","0.002","515.67","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H3 Br2 I O2 -","- C10 H3 Br2 I O2 -","- C20 H6 Br4 I2 O4 -","2","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0277","0.0212","","","0.0489","0.051","","","","","","1.045","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542613","14.1706","0.0008","4.1298","0.0002","15.9165","0.001","90","","106.661","0.004","90","","892.36","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 I O2 -","- C10 H5 I O2 -","- C40 H20 I4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0617","0.0414","","","0.0932","0.1009","","","","","","1.004","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542614","13.9652","0.0006","4.4527","0.0002","16.4351","0.0006","90","","102.327","0.003","90","","998.42","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 I2 O2 -","- C10 H4 I2 O2 -","- C40 H16 I8 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0289","0.022","","","0.0408","0.0426","","","","","","1.029","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542615","7.7808","0.0005","8.1027","0.0005","12.8379","0.0009","90","","94.413","0.005","90","","806.97","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Br O2 -","- C10 H5 Br O2 -","- C40 H20 Br4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0327","0.0248","","","0.0569","0.06","","","","","","1.04","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542730","22.283","0.003","10.1485","0.0015","6.7864","0.0011","90","","90","","90","","1534.7","0.4","293","2","293","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.049","0.0455","","","0.1115","0.1144","","","","","","1.077","","","","has coordinates","185120","2020-10-21","18:00:00",""
"1542731","7.4014","0.0012","11.2513","0.0018","19.726","0.003","90","","91.021","0.004","90","","1642.4","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.1389","0.0744","","","0.1758","0.2087","","","","","","1.052","","","","has coordinates","185120","2020-10-21","18:00:00",""
"1542732","9.9373","0.0012","5.8477","0.0007","23.768","0.003","90","","98.064","0.002","90","","1367.5","0.3","130","","130","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.0618","0.0498","","","0.1357","0.1454","","","","","","1.037","","","","has coordinates","185120","2020-10-21","18:00:00",""
"1542733","7.9475","0.0016","10.528","0.002","11.586","0.003","93.439","0.011","108.109","0.01","96.394","0.011","911.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl O5 -","- C19 H19 Cl O5 -","- C38 H38 Cl2 O10 -","2","1","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.0832","0.0619","","","0.1631","0.1874","","","","","","1.042","","","","has coordinates","185130","2020-10-21","18:00:00",""
"1542734","8.172","0.0019","9.085","0.002","13.302","0.003","85.887","0.006","79.292","0.005","63.379","0.004","867.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.0959","0.0853","","","0.248","0.2574","","","","","","1.492","","","","has coordinates,has disorder","185130","2020-10-21","18:00:00",""
"1542735","9.9793","0.0012","11.954","0.0015","15.515","0.002","90.309","0.007","90.735","0.007","101.28","0.007","1814.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl O6 -","- C19 H19 Cl O6 -","- C76 H76 Cl4 O24 -","4","2","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.1273","0.072","","","0.1765","0.2177","","","","","","1.017","","","","has coordinates","185130","2020-10-21","18:00:00",""
"1542742","11.0077","0.0006","9.7685","0.0006","14.9709","0.0007","90","","103.216","0.003","90","","1567.17","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H40 O7 S -","- C33 H40 O7 S -","- C66 H80 O14 S2 -","2","1","","Vibhute, Amol M.; Dhaka, Arun; Athiyarath, Vignesh; Sureshan, Kana M.","A versatile glycosylation strategy via Au(iii) catalyzed activation of thioglycoside donors","Chem. Sci.","2016","7","7","4259","","10.1039/C6SC00633G","","","0.71073","MoKα","","0.1106","0.0497","","","0.1087","0.136","","","","","","0.895","","","","has coordinates","185107","2020-10-21","18:00:00",""
"1542746","27.1499","0.0001","27.1499","0.0001","27.1499","0.0001","90","","90","","90","","20012.7","0.13","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C48 H191 Co5 N40 O126 Sb9 W24 -","- C48 H93 Co5 N39.98 O120.01 Sb9 W24 -","- C192 H372 Co20 N159.92 O480.04 Sb36 W96 -","4","0.333333","","Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin","Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks","Chem. Sci.","2016","7","7","4220","","10.1039/C5SC04408A","","","0.71073","MoKα","","0.0839","0.0615","","","0.1132","0.124","","","","","","1.053","","","","has coordinates","185122","2020-10-21","18:00:00",""
"1542747","21.9241","0.0013","26.104","0.0015","42.1665","0.0019","90","","119.618","0.002","90","","20979","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H235 Cl Co4 N49 O133 Sb9 W24 -","- C60 H106 Cl Co4 N49 O118 Sb9 W24 -","- C240 H424 Cl4 Co16 N196 O472 Sb36 W96 -","4","1","","Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin","Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks","Chem. Sci.","2016","7","7","4220","","10.1039/C5SC04408A","","","0.41328","","","0.0668","0.0454","","","0.1337","0.1562","","","","","","0.97","","","","has coordinates,has disorder","185122","2020-10-21","18:00:00",""
"1542748","16.853","0.003","17.211","0.003","18.087","0.004","99.16","0.03","91.7","0.03","96.78","0.03","5136.9","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H47 N10 O10.5 S2 -","- C48 H42 N10 O8 S2 -","- C192 H168 N40 O32 S8 -","4","2","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.2232","0.1539","","","0.3146","0.3478","","","","","","0.997","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542749","13.49","0.003","18.126","0.004","20.197","0.004","90","","101.26","0.03","90","","4843.5","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 N10 O13 S2 -","- C48 H42 N10 O8 S2 -","- C192 H168 N40 O32 S8 -","4","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.148","0.1162","","","0.22","0.2401","","","","","","1.005","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542750","10.032","0.002","10.288","0.002","15.459","0.003","80.45","0.03","80.06","0.03","80.81","0.03","1535.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H68 F12 N10 O10 P2 -","- C54 H68 F12 N10 O10 P2 -","- C54 H68 F12 N10 O10 P2 -","1","0.5","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.0846","0.0758","","","0.1585","0.1643","","","","","","1.011","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542751","11.353","0.002","20.065","0.004","19.117","0.004","90","","98.58","0.03","90","","4306.1","1.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 F12 N11 O2 P2 -","- C40 H39 F12 N11 O2 P2 -","- C160 H156 F48 N44 O8 P8 -","4","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.0985","0.0804","","","0.1687","0.1791","","","","","","1.02","","","","has coordinates,has disorder","185127","2020-10-21","18:00:00",""
"1542752","28.552","0.006","13.685","0.003","22.641","0.005","90","","103.63","0.03","90","","8597","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H41 F12 N11 O3 P2 -","- C40 H41 F12 N11 O3 P2 -","- C320 H328 F96 N88 O24 P16 -","8","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.099","0.0786","","","0.1624","0.1758","","","","","","1.016","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542758","5.98282","0.00012","11.5033","0.0003","22.3942","0.0004","83.2783","0.0017","89.5639","0.0015","85.3431","0.0017","1525.57","0.06","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-Benzyl-5-benzylideneoxazolidin-2-one","","- C17.5 H16 Cl N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","2","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","1.54184","CuKα","","0.0455","0.0433","","","0.1164","0.1183","","","","","","1.06","","","","has coordinates","185146","2020-10-21","18:00:00",""
"1542759","7.498","0.0002","5.69208","0.00016","19.4188","0.0005","90","","90.668","0.003","90","","828.72","0.04","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-5-benzylideneoxazolidin-2-one","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","0.71073","MoKα","","0.0435","0.0344","","","0.077","0.083","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1542760","12.43088","0.00018","15.8294","0.0002","18.0723","0.0003","92.4918","0.0012","101.882","0.0012","100.546","0.0012","3408.97","0.09","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","Methyl (E)-4-[1-(3-benzyl-2-oxooxazolidin-5-ylidene)ethyl]benzoate","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","4","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","1.54184","CuKα","","0.0407","0.0365","","","0.0954","0.0993","","","","","","1.025","","","","has coordinates","185146","2020-10-21","18:00:00",""
"1542766","17.501","0.0019","5.6716","0.0006","12.6807","0.0014","90","","104.641","0.003","90","","1217.8","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C56 H60 N4 O4 S4 -","4","1","","Gu, Zheng-Yang; Cao, Jia-Jia; Wang, Shun-Yi; Ji, Shun-Jun","The involvement of the trisulfur radical anion in electron-catalyzed sulfur insertion reactions: facile synthesis of benzothiazine derivatives under transition metal-free conditions","Chem. Sci.","2016","7","7","4067","","10.1039/C6SC00240D","","","0.71073","Mo","","0.0618","0.0467","","","0.1396","0.1504","","","","","","1.065","","","","has coordinates","185119","2020-10-21","18:00:00",""
"1542892","10.3027","0.0004","14.2644","0.0006","18.1624","0.0007","90","","90","","90","","2669.18","0.18","125","2","125","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","[Fe(5-Br-salEen)2]ClO4","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","0.5","","Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N.","Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound","Chem. Sci.","2016","7","7","4251","","10.1039/C5SC04577K","","","0.71073","MoKα","","0.0309","0.0231","","","0.0575","0.061","","","","","","1.044","","","","has coordinates","185111","2020-10-21","18:00:00",""
"1542893","11.931","0.003","12.17","0.003","19.166","0.005","90","","90","","90","","2782.9","1.2","297","2","297","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","0.5","","Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N.","Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound","Chem. Sci.","2016","7","7","4251","","10.1039/C5SC04577K","","","0.71073","MoKα","","0.1583","0.1001","","","0.2984","0.3515","","","","","","1.098","","","","has coordinates","185111","2020-10-21","18:00:00",""
"1542894","15.8239","0.0008","19.3822","0.001","7.8312","0.0004","90","","90","","90","","2401.8","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","YR1","","","- C17 H10.5 N P0.5 -","- C17 H10.5 N P0.5 -","- C136 H84 N8 P4 -","8","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","","","0.0656","0.0495","","","0.1197","0.1312","","","","","","0.912","","","","has coordinates,has disorder","185117","2020-10-21","18:00:00",""
"1542895","11.925","0.005","12.375","0.006","18.662","0.009","87.764","0.014","76.46","0.009","83.562","0.01","2660","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","YR5","","","- C34.5 H21.5 Cl1.5 N2 O P -","- C34.5 H21.5 Cl1.5 N2 O P -","- C138 H86 Cl6 N8 O4 P4 -","4","2","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","MoKα","","0.0603","0.0431","","","0.1143","0.1286","","","","","","1.036","","","","has coordinates,has disorder","185117","2020-10-21","18:00:00",""
"1542896","17.008","0.008","32.243","0.012","7.688","0.003","90","","90","","90","","4216","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","YR4","","","- C28 H17 N4 P S -","- C28 H17 N4 P S -","- C224 H136 N32 P8 S8 -","8","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","","","0.0438","0.0371","","","0.0975","0.1021","","","","","","1.06","","","","has coordinates","185117","2020-10-21","18:00:00",""
"1542897","8.5379","0.0004","12.3661","0.0006","20.2417","0.001","90","","99.918","0.001","90","","2105.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","YR3","","","- C28 H19 N2 P -","- C28 H19 N2 P -","- C112 H76 N8 P4 -","4","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","1.54178","CuKα","","0.0358","0.0342","","","0.0942","0.1","","","","","","1.078","","","","has coordinates","185117","2020-10-21","18:00:00",""
"1542898","10.2381","0.0006","13.0126","0.0008","17.4162","0.0011","89.311","0.002","88.175","0.002","67.825","0.001","2147.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","YR6","","","- C27 H18 N3 O3 P -","- C27 H18 N3 O3 P -","- C108 H72 N12 O12 P4 -","4","2","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","MoKα","","0.043","0.0359","","","0.0979","0.1036","","","","","","1.043","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542904","8.0327","0.0002","9.3726","0.0002","16.1657","0.0003","77.401","0.0013","85.464","0.0014","69.356","0.0014","1111.49","0.04","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H37 N O6 -","- C24 H37 N O6 -","- C48 H74 N2 O12 -","2","1","","Hagiwara, Koichi; Tabuchi, Toshiki; Urabe, Daisuke; Inoue, Masayuki","Expeditious synthesis of the fused hexacycle of puberuline C via a radical-based cyclization/translocation/cyclization process","Chem. Sci.","2016","7","7","4372","","10.1039/C6SC00671J","","","1.54178","","","0.0539","0.0452","","","0.1257","0.131","","","","","","1.278","","","","has coordinates,has disorder","185106","2020-10-21","18:00:00",""
"1542912","23.023","0.004","23.023","0.004","16.459","0.003","90","","90","","120","","7555","2","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C111 H81 Br2 F18 N15 O22 Zn5 -","- C111 H81 Br2 F18 N15 O22 Zn5 -","- C222 H162 Br4 F36 N30 O44 Zn10 -","2","0.333333","","Bilbeisi, Rana A.; Prakasam, Thirumurugan; Lusi, Matteo; El Khoury, Roberto; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Olsen, John-Carl; Elhabiri, Mourad; Trabolsi, Ali","[C‒H⋯anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal‒organic structures in aqueous solutions","Chem. Sci.","2016","7","4","2524","","10.1039/C5SC04246A","","","1.54178","CuKα","","0.1205","0.0933","","","0.2711","0.2957","","","","","","1.067","","","","has coordinates","178854","2020-10-21","18:00:00",""
"1542927","18.6106","0.0006","9.3237","0.0003","20.2857","0.0006","90","","98.941","0.001","90","","3477.2","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 N4 O2 -","- C38 H56 N4 O2 -","- C152 H224 N16 O8 -","4","1","","Wezenberg, Sander J.; Croisetu, Christelle M.; Stuart, Marc C. A.; Feringa, Ben L.","Reversible gel‒sol photoswitching with an overcrowded alkene-based bis-urea supergelator","Chem. Sci.","2016","7","7","4341","","10.1039/C6SC00659K","","","0.71073","MoKα","","0.0755","0.0548","","","0.1405","0.1566","","","","","","1.035","","","","has coordinates","185129","2020-10-21","18:00:00",""
"1542928","15.7715","0.0013","12.9851","0.0011","32.521","0.003","90","","97.852","0.005","90","","6597.7","1","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 Ce Li2 O11 -","- C80 H76 Ce Li2 O11 -","- C320 H304 Ce4 Li8 O44 -","4","1","","Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii)","Chem. Sci.","2016","7","7","4537","","10.1039/C5SC04897D","","","0.71073","MoKα","","0.0475","0.0366","","","0.0912","0.1","","","","","","1.086","","","","has coordinates","185113","2020-10-21","18:00:00",""
"1542929","15.6917","0.0012","16.7884","0.0006","18.8233","0.0007","111.706","0.002","103.016","0.002","97.558","0.003","4360.6","0.4","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C97 H112 Ce Li3 O14 -","- C97 H112 Ce Li3 O14 -","- C194 H224 Ce2 Li6 O28 -","2","1","","Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii)","Chem. Sci.","2016","7","7","4537","","10.1039/C5SC04897D","","","0.71073","MoKα","","0.0463","0.0377","","","0.099","0.1074","","","","","","1.046","","","","has coordinates,has disorder","185113","2020-10-21","18:00:00",""
"1542938","11.191","0.006","14.136","0.008","7.975","0.005","90","","106.894","0.007","90","","1207.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C11 H6 N O5 Zn -","- C11 H6 N O5 Zn -","- C44 H24 N4 O20 Zn4 -","4","0.5","","Yang, Xiaogang; Yan, Dongpeng","Long-afterglow metal‒organic frameworks: reversible guest-induced phosphorescence tunability","Chem. Sci.","2016","7","7","4519","","10.1039/C6SC00563B","","","0.71073","MoKα","","0.0532","0.052","","","0.1497","0.1501","","","","","","1.236","","","","has coordinates","185116","2020-10-21","18:00:00",""
"1542939","9.9475","0.0007","13.7704","0.001","14.6585","0.001","98.995","0.0019","100.851","0.0018","97.3666","0.0018","1921.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H60 N P2 Pd -","- C40 H60 N P2 Pd -","- C80 H120 N2 P4 Pd2 -","2","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0302","0.0253","","","0.0606","0.0624","","","","","","1.039","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542940","20.2994","0.0014","17.5268","0.0014","15.9561","0.0016","90","","123.775","0.003","90","","4718.8","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H62 N P2 Pd -","- C45 H62 N P2 Pd -","- C180 H248 N4 P8 Pd4 -","4","0.5","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.03","0.0246","","","0.0587","0.0604","","","","","","1.059","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542941","26.989","0.003","12.0603","0.001","23.568","0.002","90","","96.879","0.004","90","","7616.1","1.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H59 K P2 Pd -","- C40 H59 K P2 Pd -","- C320 H472 K8 P16 Pd8 -","8","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0349","0.0267","","","0.0661","0.0692","","","","","","1.066","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542942","10.2409","0.0009","18.169","0.0015","25.743","0.002","90","","90.553","0.003","90","","4789.7","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H72 K N O P2 Pd -","- C49 H72 K N O P2 Pd -","- C196 H288 K4 N4 O4 P8 Pd4 -","4","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0318","0.0252","","","0.0563","0.0582","","","","","","1.049","","","","has coordinates,has disorder","185126","2020-10-21","18:00:00",""
"1542957","10.3771","0.0007","13.7178","0.0009","15.7246","0.001","90","","90","","90","","2238.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.039","0.0369","","","0.0955","0.097","","","","","","1.051","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542958","10.6807","0.001","8.6932","0.0008","12.7653","0.0012","90","","101.848","0.002","90","","1160","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C52 H48 N4 O4 S2 -","2","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0475","0.0399","","","0.1007","0.1064","","","","","","1.046","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542959","6.763","0.0019","11.797","0.003","28.909","0.008","90","","90","","90","","2306.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N2 O2.5 S -","- C26 H25 N2 O2.5 S -","- C104 H100 N8 O10 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0584","0.0446","","","0.1","0.1057","","","","","","0.959","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542960","8.4047","0.0007","8.8853","0.0008","24","0.002","90","","90","","90","","1792.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0463","0.0373","","","0.0967","0.1019","","","","","","1.049","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542961","11.8055","0.0008","13.0054","0.0009","14.4044","0.001","90","","90","","90","","2211.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0446","0.0394","","","0.0994","0.1036","","","","","","1.042","","","","has coordinates,has disorder","185123","2020-10-21","18:00:00",""
"1542962","12.3031","0.0016","10.1584","0.0013","17.27","0.002","90","","95.303","0.002","90","","2149.2","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0672","0.0493","","","0.1068","0.1151","","","","","","0.951","","","","has coordinates,has disorder","185123","2020-10-21","18:00:00",""
"1542963","14.313","0.006","14.313","0.006","25.736","0.012","90","","90","","90","","5272","4","93","","93","","","","","","","","","5","I 4/m","-I 4","87","","","","- C124 H72 Cl16 N16 Tb2 -","- C124 H72 Cl16 N16 Tb2 -","- C248 H144 Cl32 N32 Tb4 -","2","0.125","","Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro","Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets","Chem. Sci.","2016","7","7","4329","","10.1039/C5SC04669F","","","0.71075","MoKα","","","0.06","","","","0.1761","","","","","","1.153","","","","has coordinates","185125","2020-10-21","18:00:00",""
"1542964","13.8","0.003","27.638","0.006","23.522","0.005","90","","98.391","0.003","90","","8875","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H62 Cl6 N20 Tb2 -","- C110 H62 Cl6 N20 Tb2 -","- C440 H248 Cl24 N80 Tb8 -","4","1","","Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro","Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets","Chem. Sci.","2016","7","7","4329","","10.1039/C5SC04669F","","","0.71075","MoKα","","0.1055","0.0761","","","0.1859","0.2231","","","","","","1.109","","","","has coordinates","185125","2020-10-21","18:00:00",""
"1542965","8.3113","0.0005","12.197","0.0006","12.7574","0.0007","101.086","0.004","105.393","0.005","93.456","0.005","1215.1","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C25 H25 Cl N2 O3 S2 -","- C25 H23 Cl N2 O3 S2 -","- C50 H46 Cl2 N4 O6 S4 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0609","0.0507","","","0.1294","0.1393","","","","","","1.028","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542966","9.1702","0.0004","18.4101","0.0009","24.3386","0.0011","90","","90","","90","","4108.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","DF1","-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H17 Cl N2 O S2 -","- C23 H17 Cl N2 O S2 -","- C184 H136 Cl8 N16 O8 S16 -","8","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","0.71073","MoKα","","0.0833","0.0627","","","0.1646","0.1821","","","","","","1.029","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542967","14.1636","0.0004","7.6109","0.0002","20.6614","0.0005","90","","103.485","0.003","90","","2165.85","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-3-hydroxybenzonitrile","","- C24 H16 Cl N3 O S2 -","- C24 H16 Cl N3 O S2 -","- C96 H64 Cl4 N12 O4 S8 -","4","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0536","0.0444","","","0.1225","0.1325","","","","","","1.029","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542968","9.5948","0.0006","10.3128","0.0007","12.0188","0.0008","87.285","0.005","86.081","0.005","83.966","0.005","1178.93","0.13","293","10","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenyl)methanesulfonamide","","- C24 H20 Cl N3 O2 S3 -","- C24 H20 Cl N3 O2 S3 -","- C48 H40 Cl2 N6 O4 S6 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0756","0.0651","","","0.1708","0.182","","","","","","1.046","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542969","10.6742","0.0005","10.973","0.0006","13.2942","0.0007","112.061","0.005","95.45","0.004","93.025","0.004","1429.98","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno [3,2-e]pyridin-2-yl)phenyl)-4-methylbenzenesulfonamide","","- C30 H24 Cl N3 O2 S3 -","- C30 H24 Cl N3 O2 S3 -","- C60 H48 Cl2 N6 O4 S6 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.068","0.0574","","","0.1593","0.1711","","","","","","1.03","","","","has coordinates","185131","2020-10-21","18:00:00",""
"1543019","18.495","0.003","10.4499","0.0015","20.683","0.003","90","","112.149","0.002","90","","3702.4","1","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Et4N][Fe4N(CO)11PPh2EtOH]","","","- C33 H35 Fe4 N2 O12 P -","- C33 H35 Fe4 N2 O12 P -","- C132 H140 Fe16 N8 O48 P4 -","4","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","0.71073","MoKα","","0.0296","0.024","","","0.0594","0.0626","","","","","","1.03","","","","has coordinates","181482","2020-10-21","18:00:00",""
"1543020","25.63","0.002","10.6233","0.0008","31.622","0.002","90","","95.408","0.001","90","","8571.6","1.1","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Et4N][Fe4N(CO)11PPh3]","","","- C41 H43 Fe4 N2 O12 P -","- C41 H43 Fe4 N2 O12 P -","- C328 H344 Fe32 N16 O96 P8 -","8","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","0.71073","MoKα","","0.0264","0.0229","","","0.0572","0.059","","","","","","1.056","","","","has coordinates,has disorder","181482","2020-10-21","18:00:00",""
"1543026","19.202","0.004","20.734","0.004","24.321","0.005","93.96","0.03","108.19","0.03","96.25","0.03","9090","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","SL_127","","- C176.5 H153.4 B2 F8 N12 O8 Pd2 S2 -","- C176.575 H153.524 B2 F8 N12 O8 Pd2 S2 -","- C353.15 H307.048 B4 F16 N24 O16 Pd4 S4 -","2","1","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.97896","","","0.1254","0.1071","","","0.3096","0.3285","","","","","","1.388","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543027","15.19","0.003","18.168","0.004","18.77","0.004","64.9","0.03","79.12","0.03","76.17","0.03","4532","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","SL_125","","- C185 H173 B2 F8 N14 O6 Pd2 S2 -","- C185.49 H174.025 B2 F8 N14 O6 Pd2 S2 -","- C185.49 H174.025 B2 F8 N14 O6 Pd2 S2 -","1","0.5","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.97896","","","0.0947","0.0798","","","0.2269","0.2374","","","","","","1.086","","","","has coordinates,has disorder","185109","2020-10-21","18:00:00",""
"1543028","18","0.004","24.665","0.005","25.221","0.005","109.16","0.03","97.62","0.03","100.3","0.03","10184","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","SL_123","","- C192 H177 Fe2 N12 O15 Pd2 S4 -","- C192 H177 Fe2 N12 O15 Pd2 S4 -","- C384 H354 Fe4 N24 O30 Pd4 S8 -","2","1","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.71073","MoKα","","0.1384","0.1178","","","0.2947","0.3137","","","","","","1.164","","","","has coordinates","185109","2020-10-21","18:00:00",""
"1543029","16.196","0.003","16.375","0.003","17.065","0.003","74.2","0.03","62.65","0.03","71.79","0.03","3773.9","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","SL_ADA1","","- C172 H164 B4 F16 N12 Pd2 -","- C172 H164 B4 F16 N12 Pd2 -","- C172 H164 B4 F16 N12 Pd2 -","1","0.5","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","1","","","0.183","0.1421","","","0.3421","0.3767","","","","","","1.28","","","","has coordinates","185109","2020-10-21","18:00:00",""
"1543030","5.8323","0.0004","6.989","0.0004","13.7431","0.0009","97.28","0.002","98.85","0.002","91.576","0.002","548.43","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H12 B N O4 S -","- C10 H12 B N O4 S -","- C20 H24 B2 N2 O8 S2 -","2","2","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast and selective labeling of N-terminal cysteines at neutral pH via thiazolidino boronate formation.","Chemical science","2016","7","7","4589","4593","10.1039/C6SC00172F","","","1.54178","CuKα","","0.0261","0.026","","","0.0701","0.0703","","","","","","1.033","","","","has coordinates","190060","2020-10-21","18:00:00",""
"1543044","16.7707","0.0005","12.8886","0.0003","24.1907","0.0006","90","","90","","90","","5228.8","0.2","180","2","180.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H39 Cl10 N7 O8 Ru -","- C50 H39 Cl10 N7 O8 Ru -","- C200 H156 Cl40 N28 O32 Ru4 -","4","1","","Zhu, Ben-Zhan; Chao, Xi-Juan; Huang, Chun-Hua; Li, Yan","Delivering the cell-impermeable DNA ‘light-switching’ Ru(ii) complexes preferentially into live-cell nucleus via an unprecedented ion-pairing method","Chem. Sci.","2016","7","7","4016","","10.1039/C5SC03796D","","","0.71073","MoKα","","0.0353","0.0314","","","0.0755","0.0783","","","","","","1.088","","","","has coordinates","185118","2020-10-21","18:00:00",""
"1543067","7.8922","0.0004","12.0779","0.0007","13.8862","0.0007","67.02","0.005","84.303","0.004","85.759","0.004","1211.69","0.12","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 B F4 N3 O2 -","- C27 H30 B F4 N3 O2 -","- C54 H60 B2 F8 N6 O4 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0566","0.0403","","","0.0904","0.0977","","","","","","0.96","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543068","22.69881","0.00019","21.08434","0.00017","10.5946","0.00009","90","","90","","90","","5070.46","0.07","180","0.14","180","0.14","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C28 H29 B F4 N2 O3 -","- C28 H29 B F4 N2 O3 -","- C224 H232 B8 F32 N16 O24 -","8","2","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0546","0.051","","","0.148","0.1533","","","","","","1.033","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543069","7.9972","0.0004","20.6791","0.0007","13.5143","0.0004","90","","90.901","0.003","90","","2234.65","0.15","180","0.14","180","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl N2 O3 -","- C27 H29 Cl N2 O3 -","- C108 H116 Cl4 N8 O12 -","4","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0733","0.0545","","","0.1508","0.1636","","","","","","1.046","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543070","10.9867","0.0006","12.0208","0.0006","13.2458","0.0008","82.687","0.005","66.161","0.006","79.273","0.005","1569.51","0.17","180","0.14","180","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 B Cl2 F4 N2 O4 -","- C31 H35 B Cl2 F4 N2 O4 -","- C62 H70 B2 Cl4 F8 N4 O8 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0545","0.0502","","","0.132","0.1362","","","","","","1.067","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543071","8.8012","0.0003","13.0835","0.0004","14.2973","0.0004","108.555","0.003","106.512","0.003","97.631","0.003","1450.56","0.09","179.95","0.1","179.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H36 B F4 N3 O3 -","- C31 H36 B F4 N3 O3 -","- C62 H72 B2 F8 N6 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.048","0.0421","","","0.1129","0.1179","","","","","","1.063","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543072","11.0563","0.0003","13.288","0.0004","14.0408","0.0005","115.683","0.003","92.594","0.003","112.243","0.003","1665.64","0.12","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H42 B F4 N3 O3 -","- C35.5 H42 B F4 N3 O3 -","- C71 H84 B2 F8 N6 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0631","0.0574","","","0.1675","0.1748","","","","","","1.049","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543073","11.1714","0.0006","11.8849","0.0006","13.3323","0.0007","84.422","0.004","65.83","0.005","79.905","0.004","1589.32","0.16","180","2","180.15","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H35 B Cl2 F4 N2 O3 S -","- C31 H35 B Cl2 F4 N2 O3 S -","- C62 H70 B2 Cl4 F8 N4 O6 S2 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0643","0.061","","","0.175","0.1786","","","","","","1.066","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543074","7.8446","0.0004","12.7594","0.0007","13.7549","0.0008","69.935","0.005","78.524","0.005","82.802","0.005","1264.91","0.13","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 B F4 N2 O3 -","- C28 H31 B F4 N2 O3 -","- C56 H62 B2 F8 N4 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0615","0.0468","","","0.1223","0.1349","","","","","","1.026","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543075","10.025","0.0005","19.7722","0.0008","12.5456","0.0006","90","","95.411","0.004","90","","2475.7","0.2","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C27 H29 B F4 N2 O2 -","- C27 H29 B F4 N2 O2 -","- C108 H116 B4 F16 N8 O8 -","4","0.5","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0705","0.0621","","","0.1794","0.1905","","","","","","1.067","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543076","11.8159","0.0007","14.3381","0.0007","17.9959","0.0009","78.648","0.004","84.294","0.004","66.016","0.005","2730.4","0.3","179","2","179","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N5 O10 -","- C27 H29 N5 O10 -","- C108 H116 N20 O40 -","4","2","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0466","0.0407","","","0.1164","0.1227","","","","","","1.052","","","","has coordinates","185110","2020-10-21","18:00:00",""
"1543092","13.7628","0.001","14.6969","0.0013","20.612","0.003","92.199","0.01","108.292","0.008","115.12","0.008","3512","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 Dy I3 N8 O10 P4 -","- C40 H112 Dy I3 N8 O10 P4 -","- C80 H224 Dy2 I6 N16 O20 P8 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.0335","0.0318","","","0.0658","0.0667","","","","","","1.09","","","","has coordinates","185147","2020-10-21","18:00:00",""
"1543093","13.737","0.0008","14.6858","0.0014","20.603","0.0017","92.107","0.009","108.177","0.007","115.121","0.012","3505.6","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 Er I3 N8 O10 P4 -","- C40 H112 Er I3 N8 O10 P4 -","- C80 H224 Er2 I6 N16 O20 P8 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.0262","0.0256","","","0.0622","0.0625","","","","","","1.079","","","","has coordinates","185147","2020-10-21","18:00:00",""
"1543094","13.7506","0.0013","14.727","0.002","20.641","0.002","92.293","0.014","108.245","0.01","114.902","0.008","3528.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 I3 N8 O10 P4 Y -","- C40 H112 I3 N8 O10 P4 Y -","- C80 H224 I6 N16 O20 P8 Y2 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.036","0.0336","","","0.0762","0.0775","","","","","","1.06","","","","has coordinates","185147","2020-10-21","18:00:00",""
"1543095","8.4474","0.0005","8.6414","0.0004","10.5047","0.0006","101.755","0.004","103.383","0.005","98.623","0.004","714.54","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.035","0.0328","","","0.088","0.0902","","","","","","1.323","","","","has coordinates","185108","2020-10-21","18:00:00",""
"1543096","8.4511","0.0002","8.5911","0.0002","10.8922","0.0002","73.717","0.002","84.157","0.002","69.545","0.002","711.23","0.03","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.0365","0.0357","","","0.0875","0.0879","","","","","","1.308","","","","has coordinates","185108","2020-10-21","18:00:00",""
"1543097","20.3065","0.0019","12.0238","0.001","25.441","0.002","90","","110.374","0.005","90","","5823.1","0.9","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H96 N6 O10 S -","- C56 H96 N6 O10 S -","- C224 H384 N24 O40 S4 -","4","1","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","0.71073","MoKα","","0.0654","0.0482","","","0.1097","0.1182","","","","","","1.184","","","","has coordinates,has disorder","185108","2020-10-21","18:00:00",""
"1543098","6.0434","0.0003","8.9035","0.0005","20.1417","0.001","101.174","0.005","91.268","0.004","107.342","0.005","1011.2","0.1","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N4 O14 -","- C40 H48 N4 O14 -","- C40 H48 N4 O14 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.1039","0.0509","","","0.1016","0.1096","","","","","","1.176","","","","has coordinates,has disorder","185108","2020-10-21","18:00:00",""
"1543100","38.0927","0.0019","11.6377","0.0006","16.7259","0.0007","90","","100.791","0.005","90","","7283.7","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H63 N0 O Si2 U -","- C36 H63 O Si2 U -","- C288 H504 O8 Si16 U8 -","8","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.0495","0.0344","","","0.0655","0.0705","","","","","","1.021","","","","has coordinates,has disorder","185121","2020-10-21","18:00:00",""
"1543101","22.8816","0.0013","12.0603","0.0005","16.2087","0.0008","90","","108.372","0.006","90","","4245","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H72 N O Si2 U -","- C41 H72 N O Si2 U -","- C164 H288 N4 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.0804","0.0594","","","0.1288","0.1376","","","","","","1.119","","","","has coordinates,has disorder","185121","2020-10-21","18:00:00",""
"1543102","16.6069","0.0013","22.4849","0.0019","11.2503","0.0011","90","","90","","90","","4200.9","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H72 O Si3 U -","- C39 H72 O Si3 U -","- C156 H288 O4 Si12 U4 -","4","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.1465","0.0983","","","0.2378","0.2983","","","","","","1.014","","","","has coordinates","185121","2020-10-21","18:00:00",""
"1543103","10.7251","0.0002","18.7626","0.0003","11.9516","0.0002","90","","95.238","0.001","90","","2394.99","0.07","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H41.5 N0.5 Na0.5 O Si U0.5 -","- C22 H41.5 N0.5 Na0.5 O Si U0.5 -","- C88 H166 N2 Na2 O4 Si4 U2 -","4","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.0343","0.0305","","","0.0728","0.0762","","","","","","1.032","","","","has coordinates","185121","2020-10-21","18:00:00",""
"1543104","12.3696","0.0004","13.4214","0.0005","21.7314","0.0006","98.997","0.003","99.477","0.002","109.711","0.003","3261.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H204 N2 Na O6 Si8 U4 -","- C120 H204 N2 Na O6 Si8 U4 -","- C120 H204 N2 Na O6 Si8 U4 -","1","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.0488","0.0338","","","0.084","0.0908","","","","","","1.024","","","","has coordinates,has disorder","282761","2023-04-20","06:45:56",""
"1543105","11.1168","0.0004","19.7384","0.0006","13.01","0.0005","90","","90.901","0.003","90","","2854.4","0.17","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H95 K O7 Si2 U -","- C55 H95 K O7 Si2 U -","- C110 H190 K2 O14 Si4 U2 -","2","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.045","0.0371","","","0.072","0.0744","","","","","","1.08","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1543106","7.8163","0.0016","11.555","0.002","26.919","0.005","90","","90","","90","","2431.3","0.8","133.15","","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7","","- C26 H33 N O5 S -","- C26 H33 N O5 S -","- C104 H132 N4 O20 S4 -","4","1","","Liu, Yang; Cheng, Li-Jie; Yue, Hai-Tao; Che, Wen; Xie, Jian-Hua; Zhou, Qi-Lin","Divergent enantioselective synthesis of hapalindole-type alkaloids using catalytic asymmetric hydrogenation of a ketone to construct the chiral core structure","Chem. Sci.","2016","7","7","4725","","10.1039/C6SC00686H","","","0.71073","MoKα","","0.1148","0.0837","","","0.1899","0.2057","","","","","","1.128","","","","has coordinates","185128","2020-10-21","18:00:00",""
"1543107","8.6706","0.0002","7.72008","0.00019","11.4872","0.0003","90","","90","","90","","768.93","0.03","123","3","123","3","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.","Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3","Chem. Sci.","2016","7","8","5108","","10.1039/C6SC01247G","","x-ray","0.71073","MoKα","","0.0299","0.0233","","","0.0512","0.0541","","","","","","1.059","","","","has coordinates","185163","2020-10-21","18:00:00",""
"1543108","8.61779","0.00012","7.73073","0.0001","11.50052","0.00016","90","","90","","90","","766.185","0.018","119.8","0.6","119.8","0.6","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7.5 N1.5 O6.5 Zn -","- C3 H7.5 N1.5 O6.5 Zn -","- C12 H30 N6 O26 Zn4 -","4","1","","Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.","Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3","Chem. Sci.","2016","7","8","5108","","10.1039/C6SC01247G","","x-ray","0.71073","MoKα","","0.0393","0.0264","","","0.0537","0.0581","","","","","","1.028","","","","has coordinates,has disorder","185163","2020-10-21","18:00:00",""
"1543181","7.593","0.003","11.744","0.004","16.592","0.005","90","","99.277","0.007","90","","1460.2","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C64 H44 Br4 N8 O12 -","4","1","","Jeong, Jinseong; Park, Sehoon; Chang, Sukbok","Iridium-catalyzed selective 1,2-hydrosilylation of N-heterocycles","Chem. Sci.","2016","7","8","5362","","10.1039/C6SC01037G","","","0.71073","MoKα","","0.0885","0.0416","","","0.0813","0.1074","","","","","","1.021","","","","has coordinates","185149","2020-10-21","18:00:00",""
"1543182","9.1633","0.0007","9.3697","0.0007","16.2725","0.0013","80.079","0.007","75.592","0.007","68.886","0.007","1257.03","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F3 N3 O4 S -","- C27 H28 F3 N3 O4 S -","- C54 H56 F6 N6 O8 S2 -","2","1","","Berry, Stuart N.; Soto-Cerrato, Vanessa; Howe, Ethan N. W.; Clarke, Harriet J.; Mistry, Ishna; Tavassoli, Ali; Chang, Young-Tae; Pérez-Tomás, Ricardo; Gale, Philip A.","Fluorescent transmembrane anion transporters: shedding light on anionophoric activity in cells","Chem. Sci.","2016","7","8","5069","","10.1039/C6SC01643J","","x-ray","0.71073","MoKα","","0.1711","0.0878","","","0.1784","0.2178","","","","","","1.034","","","","has coordinates","185150","2020-10-21","18:00:00",""
"1543183","11.2679","0.0014","13.3101","0.0017","15.2998","0.0019","100.653","0.002","107.431","0.002","110.833","0.002","1933.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B20 Ni P2 -","- C30 H44 B20 Ni P2 -","- C60 H88 B40 Ni2 P4 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0647","0.0396","","","0.0892","0.0999","","","","","","1.02","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543184","21.7659","0.0017","10.9289","0.0009","25.019","0.002","90","","96.4644","0.001","90","","5913.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 B20 P2 Pd -","- C54 H68 B20 P2 Pd -","- C216 H272 B80 P8 Pd4 -","4","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0337","0.026","","","0.0682","0.0725","","","","","","1.017","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543185","11.2436","0.0008","13.3586","0.001","15.2381","0.0011","102.533","0.001","106.157","0.001","111.37","0.001","1913.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B20 P2 Pt -","- C30 H44 B20 P2 Pt -","- C60 H88 B40 P4 Pt2 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.031","0.0235","","","0.0527","0.0548","","","","","","1.05","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543186","10.7808","0.0009","14.3611","0.0012","15.6014","0.0013","63.9504","0.0012","79.9962","0.0013","76.7773","0.0013","2105.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 B20 N2 O2 Pt -","- C32.055 H64.11 B20 N2 O2.011 Pt -","- C64.11 H128.22 B40 N4 O4.022 Pt2 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0173","0.0158","","","0.0389","0.0395","","","","","","1.068","","","","has coordinates,has disorder","185151","2020-10-21","18:00:00",""
"1543187","10.8488","0.0011","13.1236","0.0014","16.511","0.0017","112.701","0.001","97.749","0.001","94.541","0.001","2126.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H130 B40 N4 O Pt2 -","- C64 H130 B40 N4 O Pt2 -","- C64 H130 B40 N4 O Pt2 -","1","0.5","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0636","0.046","","","0.0899","0.1023","","","","","","1.123","","","","has coordinates,has disorder","185151","2020-10-21","18:00:00",""
"1543188","7.2892","0.0004","17.2701","0.0011","9.625","0.0006","90","","97.582","0.004","90","","1201.05","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H38 B20 -","- C12 H38 B20 -","- C24 H76 B40 -","2","0.5","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","1.54178","CuKα","","0.0537","0.0513","","","0.1463","0.1489","","","","","","1.089","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1543189","10.298","","9.153","","10.795","","90","","104.69","","90","","984.25","","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","m-P4A","","- C27 H20 O -","- C27 H20 O -","- C54 H40 O2 -","2","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0475","0.0448","","","0.12","0.1232","","","","","","1.061","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543190","11.475","","8.27","","20.338","","90","","103.7","","90","","1875.13","","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","p-FP2A","","- C27 H18 O -","- C27 H18 O -","- C108 H72 O4 -","4","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0408","0.0384","","","0.0976","0.0997","","","","","","1.034","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543191","9.9253","0.0007","9.3614","0.0005","22.1685","0.0016","90","","99.015","0.007","90","","2034.3","0.2","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","p-P4A","","- C27 H20 O -","- C27 H20 O -","- C108 H80 O4 -","4","2","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.1964","0.1163","","","0.2996","0.3571","","","","","","1.082","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543192","20.259","","10.585","","9.94","","90","","90","","90","","2131.55","","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","p-P4A2","","- C28 H20 O2 -","- C28 H20 O2 -","- C112 H80 O8 -","4","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.047","0.0445","","","0.1009","0.1035","","","","","","1.096","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543193","9.075","","11.785","","19.801","","81.99","","81.95","","89.78","","2076.1","","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","p-P4Ac","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","2","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0515","0.0457","","","0.1206","0.1268","","","","","","1.03","","","","has coordinates","185156","2020-10-21","18:00:00",""
"1543194","16.9152","0.0002","16.9152","0.0002","31.3646","0.0006","90","","90","","120","","7771.9","0.2","150","0.2","150","0.2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C106 H210 Gd7 N8 O45 -","- C106 H209.999 Gd7 N8 O45 -","- C212 H419.999 Gd14 N16 O90 -","2","0.166667","","Pineda, Eufemio Moreno; Lorusso, Giulia; Zangana, Karzan H.; Palacios, Elias; Schnack, Jürgen; Evangelisti, Marco; Winpenny, Richard E. P.; McInnes, Eric J. L.","Observation of the influence of dipolar and spin frustration effects on the magnetocaloric properties of a trigonal prismatic {Gd7} molecular nanomagnet","Chem. Sci.","2016","7","8","4891","","10.1039/C6SC01415A","","x-ray","0.71073","MoKα","","0.0355","0.031","","","0.0637","0.0672","","","","","","1.096","","","","has coordinates,has disorder","185157","2020-10-21","18:00:00",""
"1543195","9.5443","0.0003","12.2675","0.0003","13.2983","0.0004","68.395","0.003","89.878","0.002","84.475","0.002","1439.98","0.08","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 Cl2 N6 O2 Ru S -","- C31 H30 Cl2 N6 O2 Ru S -","- C62 H60 Cl4 N12 O4 Ru2 S2 -","2","1","","van Rixel, V. H. S.; Siewert, B.; Hopkins, S. L.; Askes, S. H. C.; Busemann, A.; Siegler, M. A.; Bonnet, Sylvestre","Green light-induced apoptosis in cancer cells by a tetrapyridyl ruthenium prodrug offering two trans coordination sites","Chem. Sci.","2016","7","8","4922","","10.1039/C6SC00167J","","","1.54178","CuKα","","0.0301","0.0283","","","0.0743","0.076","","","","","","1.043","","","","has coordinates","185162","2020-10-21","18:00:00",""
"1543213","14.834","0.0005","16.4316","0.0007","29.3685","0.0012","82.872","0.003","88.588","0.003","79.909","0.003","6993.2","0.5","100","","100","","","","101","","","","synthesised","6","P -1","-P 1","2","Halogen bonding molecular shuttle","Halogen bonding two-station [2]rotaxane","","- C283 H301 Cl5 I2 N16 O34 -","- C283 H301 Cl5 I2 N16 O34 -","- C283 H301 Cl5 I2 N16 O34 -","1","0.5","","Barendt, Timothy A.; Robinson, Sean W.; Beer, Paul D.","Superior anion induced shuttling behaviour exhibited by a halogen bonding two station rotaxane","Chem. Sci.","2016","7","8","5171","","10.1039/C6SC00783J","","","0.6889","synchrotron","","0.1988","0.1389","","0.3827","0.323","0.3827","","","","","","0.971","","","","has coordinates,has disorder","185161","2020-10-21","18:00:00",""
"1543258","9.397","0.003","41.912","0.011","37.099","0.011","90","","90.262","0.003","90","","14611","7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H152 Cl8 N8 O12 -","- C152 H52 Cl8 N8 O12 -","- C608 H208 Cl32 N32 O48 -","4","1","","Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori","Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation","Chem. Sci.","2016","7","5","3240","","10.1039/C5SC04673D","","","0.71075","MoKα","","","0.1604","","","","0.4336","","","","","","1.997","","","","has coordinates","182583","2020-10-21","18:00:00",""
"1543271","8.8549","0.0004","18.0318","0.0009","10.1285","0.0005","90","","108.362","0.002","90","","1534.88","0.13","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Benzhydrylphthalazine","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Brachet, Etienne; Marzo, Leyre; Selkti, Mohamed; König, Burkhard; Belmont, Philippe","Visible light amination/Smiles cascade: access to phthalazine derivatives","Chem. Sci.","2016","7","8","5002","","10.1039/C6SC01095D","","","0.71073","MoKα","","0.0574","0.0468","","","0.1165","0.1245","","","","","","1.027","","","","has coordinates","185159","2020-10-21","18:00:00",""
"1543273","12.9588","0.0011","13.5352","0.0009","18.2226","0.0015","90","","126.432","0.005","90","","2571.6","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H73 N4 Si2 -","- C54 H73 N4 Si2 -","- C108 H146 N8 Si4 -","2","0.5","","Arz, Marius I.; Schnakenburg, Gregor; Meyer, Andreas; Schiemann, Olav; Filippou, Alexander C.","The Si2H radical supported by two N-heterocyclic carbenes","Chem. Sci.","2016","7","8","4973","","10.1039/C6SC01569G","","","0.71073","MoKα","","0.1885","0.0755","","","0.1721","0.2042","","","","","","0.754","","","","has coordinates","185148","2020-10-21","18:00:00",""
"1543281","20.258","0.005","20.258","0.005","18.302","0.004","90","","90","","120","","6505","3","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C126.5 H171 Cl13 N6 O6 S2 U2 -","- C126.5 H170 Cl12.9999 N6 O6 S2 U2 -","- C253 H340 Cl25.9998 N12 O12 S4 U4 -","2","0.333333","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0385","0.0307","","","0.0696","0.0714","","","","","","1.133","","","","has coordinates,has disorder","186330","2020-10-21","18:00:00",""
"1543282","21.017","0.002","12.8557","0.0012","28.173","0.003","90","","101.271","0.003","90","","7465.2","1.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.23 H109.53 K N3 O9.38 S U -","- C85.234 H109.532 K N3 O9.383 S U -","- C340.936 H438.128 K4 N12 O37.532 S4 U4 -","4","1","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0561","0.0434","","","0.0829","0.0867","","","","","","1.286","","","","has coordinates,has disorder","186330","2020-10-21","18:00:00",""
"1543283","14.9009","0.0019","14.9009","0.0019","19.249","0.003","90","","90","","120","","3701.4","0.9","100","2","100.15","","","","","","","","","7","P 63","P 6c","173","","","","- C78 H114 K N5 O9 S U -","- C78 H114 K N5 O9 S U -","- C156 H228 K2 N10 O18 S2 U2 -","2","0.333333","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0687","0.0319","","","0.0561","0.0645","","","","","","1.028","","","","has coordinates","186330","2020-10-21","18:00:00",""
"1543284","13.2622","0.0007","15.3715","0.0006","20.3762","0.001","76.53","0.004","74.27","0.004","65.093","0.004","3592.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.5 H112 K2 O16 S Si4 U -","- C51.5 H112 K2 O16 S Si4 U -","- C103 H224 K4 O32 S2 Si8 U2 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0637","0.0449","","","0.0785","0.0857","","","","","","1.017","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543285","16.3304","0.0014","26.8","0.0019","18.8582","0.0015","90","","91.476","0.009","90","","8250.6","1.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H256 K4 O38 S2 Si8 U2 -","- C122 H256 K4 O38 S2 Si8 U2 -","- C244 H512 K8 O76 S4 Si16 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1642","0.0778","","","0.1","0.1282","","","","","","0.931","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543286","14.61","0.002","17.221","0.003","19.8684","0.0019","84.563","0.01","84.218","0.009","83.002","0.012","4919.1","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H158 K2 N2 O22 S Si4 U -","- C72 H158 K2 N2 O22 S Si4 U -","- C144 H316 K4 N4 O44 S2 Si8 U2 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1037","0.0677","","","0.1388","0.1574","","","","","","1.181","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543287","27.6846","0.0008","17.5786","0.0004","14.8975","0.0004","90","","90","","90","","7250","0.3","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C90 H198 K4 N2 O30 S3 Si6 U2 -","- C90 H198 K4 N2 O30 S3 Si6 U2 -","- C180 H396 K8 N4 O60 S6 Si12 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1361","0.0752","","","0.1315","0.156","","","","","","1.021","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543288","28.669","0.003","13.985","0.002","28.721","0.004","90","","97.583","0.009","90","","11415","3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C79 H170 K2 O24 S4.66 Si6 U2 -","- C79 H170 K2 O24 S4.651 Si6 U2 -","- C316 H680 K8 O96 S18.604 Si24 U8 -","4","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1123","0.054","","","0.0946","0.1258","","","","","","1.146","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543289","13.8962","0.0005","24.5807","0.0016","26.1417","0.0014","90","","95.317","0.005","90","","8891","0.8","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C67 H141 K O22 S Si4 U -","- C67 H141 K O22 S Si4 U -","- C268 H564 K4 O88 S4 Si16 U4 -","4","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0941","0.0674","","","0.1322","0.1462","","","","","","1.075","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543290","13.9735","0.0017","18.272","0.0011","22.168","0.003","90","","94.534","0.012","90","","5642.3","1.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H170 K2 O24 S3 Si6 U2 -","- C79 H170 K2 O24 S3 Si6 U2 -","- C158 H340 K4 O48 S6 Si12 U4 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0642","0.0463","","","0.1053","0.1327","","","","","","1.156","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543291","19.2882","0.0005","19.378","0.0005","40.5378","0.0009","90","","90","","90","","15151.7","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H116 K2 O16 S2 Si4 U -","- C55 H116 K2 O16 S2 Si4 U -","- C440 H928 K16 O128 S16 Si32 U8 -","8","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.109","0.055","","","0.0976","0.1153","","","","","","1.082","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543292","14.1455","0.0008","18.059","0.0013","22.1126","0.0012","90","","92.218","0.005","90","","5644.5","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H170 K2 O24 S4.36 Si6 U2 -","- C79 H170 K2 O24 S4.366 Si6 U2 -","- C158 H340 K4 O48 S8.732 Si12 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0839","0.0475","","","0.0922","0.1055","","","","","","1.034","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543293","9.8099","0.0003","20.1079","0.0005","13.9635","0.0004","90","","106.852","0.002","90","","2636.11","0.13","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Cl Ir O3 P2 -","- C22 H38 Cl Ir O3 P2 -","- C88 H152 Cl4 Ir4 O12 P8 -","4","1","","Rimoldi, Martino; Nakamura, Akitake; Vermeulen, Nicolaas A.; Henkelis, James J.; Blackburn, Anthea K.; Hupp, Joseph T.; Stoddart, J. Fraser; Farha, Omar K.","A metal‒organic framework immobilised iridium pincer complex","Chem. Sci.","2016","7","8","4980","","10.1039/C6SC01376G","","","1.54178","CuKα","","0.0728","0.0711","","","0.1429","0.1437","","","","","","1.223","","","","has coordinates,has disorder","185152","2020-10-21","18:00:00",""
"1543294","8.794","0.004","13.276","0.006","13.314","0.005","93.189","0.008","90.359","0.008","100.071","0.011","1527.9","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Co Cr2 N8 O7 -","- C20 H16 Co Cr2 N8 O7 -","- C40 H32 Co2 Cr4 N16 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.1756","0.158","","","0.3935","0.403","","","","","","1.586","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543295","8.9931","0.0011","13.0017","0.0016","13.0138","0.0016","85.457","0.003","79.543","0.003","83.613","0.003","1484.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 Cu N8 O7 -","- C20 H16 Cr2 Cu N8 O7 -","- C40 H32 Cr4 Cu2 N16 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.1107","0.0632","","","0.1243","0.1375","","","","","","1.018","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543296","8.7338","0.0017","13.153","0.003","13.155","0.003","86.75","0.03","84.55","0.03","80.39","0.03","1482","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 N8 Ni O7 -","- C20 H16 Cr2 N8 Ni O7 -","- C40 H32 Cr4 N16 Ni2 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.0716","0.0612","","","0.1537","0.1614","","","","","","1.057","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543297","8.7822","0.0018","13.27","0.003","13.278","0.003","85.51","0.03","80.23","0.03","83.94","0.03","1513.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 N8 O7 Zn -","- C20 H16 Cr2 N8 O7 Zn -","- C40 H32 Cr4 N16 O14 Zn2 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.0471","0.0425","","","0.1086","0.1121","","","","","","1.06","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543298","12.8149","0.0004","13.6703","0.0004","14.6341","0.0004","109.69","0.003","90.728","0.002","112.29","0.003","2204.15","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H52 Cl3 Ga Ge N8 -","- C39 H52 Cl3 Ga Ge N8 -","- C78 H104 Cl6 Ga2 Ge2 N16 -","2","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.5418","CuKα","","0.0493","0.0458","","","0.1244","0.1268","","","","","","1.092","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543299","16.2434","0.0007","21.8215","0.0009","7.6828","0.0003","90","","110.197","0.004","90","","2555.76","0.19","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C39 H56 Cl3 Ga Ge N4 O2 Se2 -","- C39 H56 Cl3 Ga Ge N4 O2 Se2 -","- C78 H112 Cl6 Ga2 Ge2 N8 O4 Se4 -","2","0.5","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0456","0.0443","","","0.1221","0.1245","","","","","","1.086","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543300","11.3788","0.0003","13.0772","0.0003","17.5125","0.0004","69.253","0.002","83.744","0.002","84.543","0.002","2417.94","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H64 Cl3 Ga Ge N4 O3 Te -","- C43 H64 Cl3 Ga Ge N4 O3 Te -","- C86 H128 Cl6 Ga2 Ge2 N8 O6 Te2 -","2","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0623","0.056","","","0.1475","0.1531","","","","","","1.086","","","","has coordinates,has disorder","185164","2020-10-21","18:00:00",""
"1543301","12.532","0.0001","18.8855","0.0001","16.0769","0.0001","90","","90.091","0.001","90","","3804.96","0.04","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43 Cl3 Ga Ge N5 Se -","- C33 H43 Cl3 Ga Ge N5 Se -","- C132 H172 Cl12 Ga4 Ge4 N20 Se4 -","4","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0381","0.0373","","","0.0995","0.1002","","","","","","1.07","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543302","16.323","0.0002","21.5944","0.0003","7.6252","0.0001","90","","109.772","0.001","90","","2529.32","0.06","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C39 H56 Cl3 Ga Ge N4 O2 S2 -","- C39 H56 Cl3 Ga Ge N4 O2 S2 -","- C78 H112 Cl6 Ga2 Ge2 N8 O4 S4 -","2","0.5","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0435","0.0423","","","0.1193","0.1207","","","","","","1.123","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543310","19.0396","0.0003","20.9444","0.0003","20.8471","0.0004","90","","93.561","0.002","90","","8297.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.75 H27.5 Dy N12 Na O5.25 -","- C42.75 H27.5 Dy N12 Na O5.25 -","- C342 H220 Dy8 N96 Na8 O42 -","8","2","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0677","0.0343","","","0.0692","0.0839","","","","","","1.046","","","","has coordinates,has disorder","282761","2023-04-20","06:45:56",""
"1543311","12.3164","0.0002","14.0599","0.0003","14.9899","0.0003","85.328","0.002","68.185","0.002","84.879","0.002","2396.98","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Dy K N12 O7 -","- C47 H40 Dy K N12 O7 -","- C94 H80 Dy2 K2 N24 O14 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.034","0.0269","","","0.0575","0.0609","","","","","","1.05","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543312","12.1604","0.0004","14.3443","0.0005","14.978","0.0004","83.549","0.003","68.8","0.003","83.086","0.003","2411.43","0.14","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Dy N12 O7 Rb -","- C47 H40 Dy N12 O7 Rb -","- C94 H80 Dy2 N24 O14 Rb2 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0483","0.0388","","","0.0933","0.1016","","","","","","1.042","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543313","12.1005","0.0005","14.5976","0.0006","14.9807","0.0006","82.535","0.004","69.08","0.004","81.967","0.003","2438.3","0.18","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cs Dy N12 O7 -","- C47 H40 Cs Dy N12 O7 -","- C94 H80 Cs2 Dy2 N24 O14 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0509","0.035","","","0.0817","0.0954","","","","","","0.994","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543314","19.5421","0.0004","19.8322","0.0004","20.8863","0.0004","90","","97.266","0.002","90","","8029.8","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H49 Cs2 Dy2 N24 O8.5 -","- C80 H49 Cs2 Dy2 N24 O8.5 -","- C320 H196 Cs8 Dy8 N96 O34 -","4","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","1.54178","CuKα","","0.0554","0.0426","","","0.1084","0.1177","","","","","","1.016","","","","has coordinates","185153","2020-10-21","18:00:00",""
"1543315","17.503","0.0017","10.588","0.001","36.844","0.003","90","","90","","90","","6828","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H33 B Fe N6 O3 -","- C38 H33 B Fe N6 O3 -","- C304 H264 B8 Fe8 N48 O24 -","8","1","","Sheet, Debobrata; Paine, Tapan Kanti","Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)‒α-keto acid complex","Chem. Sci.","2016","7","8","5322","","10.1039/C6SC01476C","","","0.71073","MoKα","","0.0709","0.0472","","","0.1405","0.1576","","","","","","1.045","","","","has coordinates","185158","2020-10-21","18:00:00",""
"1543316","12.6392","0.0006","12.6903","0.0006","16.0016","0.0007","67.251","0.001","75.265","0.001","79.591","0.001","2279.31","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H42 B Fe N8 O2 -","- C47 H42 B Fe N8 O2 -","- C94 H84 B2 Fe2 N16 O4 -","2","1","","Sheet, Debobrata; Paine, Tapan Kanti","Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)‒α-keto acid complex","Chem. Sci.","2016","7","8","5322","","10.1039/C6SC01476C","","","0.71073","MoKα","","0.0438","0.0378","","","0.1167","0.1211","","","","","","1.11","","","","has coordinates","185158","2020-10-21","18:00:00",""
"1543321","12.1726","0.001","7.9214","0.0006","12.7226","0.001","90","","112.682","0.005","90","","1131.89","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 B10 -","- C5 H14 B10 -","- C20 H56 B40 -","4","1","","Quan, Yangjian; Tang, Cen; Xie, Zuowei","Palladium catalyzed regioselective B‒C(sp) coupling via direct cage B‒H activation: synthesis of B(4)-alkynylated o-carboranes","Chem. Sci.","2016","7","9","5838","","10.1039/C6SC00901H","","","0.71073","MoKα","","0.1485","0.1194","","","0.398","0.4253","","","","","","1.679","","","","has coordinates","186329","2020-10-21","18:00:00",""
"1543322","6.818","0.0007","13.8572","0.0013","11.6193","0.0012","90","","91.186","0.007","90","","1097.54","0.19","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B20 -","- C10 H26 B20 -","- C20 H52 B40 -","2","0.5","","Quan, Yangjian; Tang, Cen; Xie, Zuowei","Palladium catalyzed regioselective B‒C(sp) coupling via direct cage B‒H activation: synthesis of B(4)-alkynylated o-carboranes","Chem. Sci.","2016","7","9","5838","","10.1039/C6SC00901H","","","0.71073","MoKα","","0.1478","0.0838","","","0.2401","0.2737","","","","","","1.05","","","","has coordinates","186329","2020-10-21","18:00:00",""
"1543323","16.4051","0.0005","17.4587","0.0005","29.8313","0.0008","84.336","0.002","81.254","0.002","71.749","0.002","8008","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 B8 Co4 Fe4 K N68 -","- C96 H88 B8 Co4 Fe4 K N68 -","- C192 H176 B16 Co8 Fe8 K2 N136 -","2","1","","Garnier, D.; Jiménez, J.-R.; Li, Y.; von Bardeleben, J.; Journaux, Y.; Augenstein, T.; Moos, E. M. B.; Gamer, M. T.; Breher, F.; Lescouëzec, R.","K⊂{[FeII(Tp)(CN)3]4[CoIII(pzTp)]3[CoII(pzTp)]}: a neutral soluble model complex of photomagnetic Prussian blue analogues","Chem. Sci.","2016","7","8","4825","","10.1039/C6SC01435F","","","0.71073","MoKα","","0.0868","0.0527","","","0.1132","0.1243","","","","","","0.86","","","","has coordinates,has disorder","185154","2020-10-21","18:00:00",""
"1543324","9.5254","0.0003","12.2658","0.0005","24.0109","0.0007","90","","90","","90","","2805.35","0.17","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H10 F10 S2 -","- C36 H10 F10 S2 -","- C144 H40 F40 S8 -","4","0.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.048","0.0385","","","0.1152","0.1244","","","","","","1.03","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543325","11.1062","0.0005","14.1291","0.0006","14.3389","0.0006","70.677","0.002","76.199","0.003","86.76","0.003","2061.4","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H10 F10 S2 -","- C36 H10 F10 S2 -","- C108 H30 F30 S6 -","3","1.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.0579","0.0467","","","0.117","0.1253","","","","","","1.044","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543326","13.7863","0.0011","37.373","0.003","7.098","0.0006","90","","100.313","0.005","90","","3598.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H36.5 Cl1.5 S2 -","- C44.5 H36.5 Cl1.5 S2 -","- C178 H146 Cl6 S8 -","4","1","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.1126","0.0737","","","0.1903","0.2203","","","","","","1.031","","","","has coordinates,has disorder","185160","2020-10-21","18:00:00",""
"1543327","8.041","0.003","11.32","0.004","12.549","0.005","106.204","0.011","106.976","0.009","99.176","0.011","1012.3","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","1","0.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","0.71073","MoKα","","0.1488","0.0667","","","0.1233","0.146","","","","","","0.985","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543334","13.2027","0.0005","11.5719","0.0005","18.2672","0.0008","90","","96.299","0.002","90","","2774","0.2","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C64 H66 O12 -","- C64 H66 O12 -","- C128 H132 O24 -","2","1","","Morcillo, Sara P.; Miguel, Delia; Álvarez de Cienfuegos, Luis; Justicia, José; Abbate, Sergio; Castiglioni, Ettore; Bour, Christophe; Ribagorda, María; Cárdenas, Diego J.; Paredes, José Manuel; Crovetto, Luis; Choquesillo-Lazarte, Duane; Mota, Antonio J.; Carreño, M. Carmen; Longhi, Giovanna; Cuerva, Juan M.","Stapled helical o-OPE foldamers as new circularly polarized luminescence emitters based on carbophilic interactions with Ag(i)-sensitivity","Chem. Sci.","2016","7","9","5663","","10.1039/C6SC01808D","","","1.54178","CuKα","","0.0412","0.0358","","","0.0873","0.0915","","","","","","1.055","","","","has coordinates","186339","2020-10-21","18:00:00",""
"1543340","20.437","0.009","16.874","0.008","7.416","0.004","90","","96.712","0.008","90","","2540","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl N O Si -","- C28 H30 Cl N O Si -","- C112 H120 Cl4 N4 O4 Si4 -","4","1","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes","Chem. Sci.","2016","7","9","5815","","10.1039/C6SC01191H","","","0.71073","MoKα","","0.1712","0.1143","","","0.2462","0.276","","","","","","1.133","","","","has coordinates","186342","2020-10-21","18:00:00",""
"1543341","16.297","0.006","17.312","0.007","10.642","0.005","90","","90","","90","","3002","2","130","","130","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H43 N2 Ni O2 -","- C32 H43 N2 Ni O2 -","- C128 H172 N8 Ni4 O8 -","4","0.5","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes","Chem. Sci.","2016","7","9","5815","","10.1039/C6SC01191H","","","0.71073","MoKα","","0.1034","0.0679","","","0.1853","0.2274","","","","","","1.018","","","","has coordinates,has disorder","186342","2020-10-21","18:00:00",""
"1543353","19.9984","0.0008","22.3102","0.0009","22.5607","0.0009","90","","90","","90","","10065.9","0.7","110","2","110","2","","","","","","","","5","I 2 2 2","I 2 2","23","","T2","","- C120 H204 N84 O47.5 Pd12 -","- C120 H204 N84 O47.4 Pd12 -","- C240 H408 N168 O94.8 Pd24 -","2","0.25","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.047","0.0433","","","0.1124","0.1144","","","","","","1.066","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543354","18.5319","0.0014","22.2301","0.0018","28.691","0.002","90","","95.243","0.002","90","","11770.3","1.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H108 N42 O22 Pd6 -","- C60 H108 N42 O22 Pd6 -","- C240 H432 N168 O88 Pd24 -","4","1","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.087","0.0788","","","0.2335","0.2452","","","","","","0.998","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543355","30.6898","0.0018","24.2224","0.0015","33.083","0.002","90","","96.418","0.002","90","","24439","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","T1","","- C120 H208 N78 O52 Pd12 -","- C120 H208 N78 O52 Pd12 -","- C480 H832 N312 O208 Pd48 -","4","0.5","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.1259","0.0804","","","0.2155","0.25","","","","","","0.783","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543372","9.1567","0.0003","10.4987","0.0003","16.4783","0.0004","74.597","0.002","82.414","0.002","81.243","0.002","1502.43","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H20 S2 Si5 -","- C4.57143 H13.1429 S0.571429 Si2 -","- C32 H92 S4 Si14 -","7","3.5","","Li, Haixing; Garner, Marc H.; Shangguan, Zhichun; Zheng, Qianwen; Su, Timothy A.; Neupane, Madhav; Li, Panpan; Velian, Alexandra; Steigerwald, Michael L.; Xiao, Shengxiong; Nuckolls, Colin; Solomon, Gemma C.; Venkataraman, Latha","Conformations of cyclopentasilane stereoisomers control molecular junction conductance","Chem. Sci.","2016","7","9","5657","","10.1039/C6SC01360K","","","1.54184","CuKα","","0.0986","0.0781","","","0.1947","0.227","","","","","","1.729","","","","has coordinates,has disorder","186332","2020-10-21","18:00:00",""
"1543379","14.0554","0.0002","8.4226","0.0001","26.8488","0.0003","90","","121.048","0.001","90","","2723.08","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 B2 Fe N9 -","- C29 H25 B2 Fe N9 -","- C116 H100 B8 Fe4 N36 -","4","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0355","0.0315","","","0.0802","0.0831","","","","","","1.041","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543380","8.669","0.0004","12.5893","0.0006","17.1783","0.0007","88.37","0.002","78.459","0.002","73.105","0.003","1756.71","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 B2 Fe N9 O2 -","- C37 H41 B2 Fe N9 O2 -","- C74 H82 B4 Fe2 N18 O4 -","2","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0416","0.0372","","","0.0967","0.0995","","","","","","1.067","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543381","16.6523","0.0003","10.1363","0.0002","29.6556","0.0006","90","","90","","90","","5005.65","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H47 B2 Fe N10 -","- C45 H47 B2 Fe N10 -","- C180 H188 B8 Fe4 N40 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0465","0.0436","","","0.1158","0.1176","","","","","","1.04","","","","has coordinates,has disorder","211042","2020-10-21","18:00:00",""
"1543382","25.518","0.004","9.9742","0.0014","13.8788","0.0019","90","","90","","90","","3532.5","0.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H39 B2 Fe N10 -","- C39 H39 B2 Fe N10 -","- C156 H156 B8 Fe4 N40 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0686","0.0482","","","0.1218","0.1329","","","","","","1.028","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543383","13.5661","0.0012","16.623","0.0014","19.6115","0.0017","68.407","0.003","83.226","0.003","68.207","0.003","3817.4","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H69 B4 Fe2 N19 O2 S -","- C74 H69 B4 Fe2 N19 O2 S -","- C148 H138 B8 Fe4 N38 O4 S2 -","2","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.1121","0.0769","","","0.1918","0.2093","","","","","","0.963","","","","has coordinates,has disorder","211042","2020-10-21","18:00:00",""
"1543384","18.1814","0.0016","21.881","0.003","16.8907","0.0014","90","","102.199","0.006","90","","6567.8","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","B2Pz4Py","","- C58 H52 B4 Li2 N18 -","- C58 H52 B4 Li2 N18 -","- C232 H208 B16 Li8 N72 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0722","0.0513","","","0.1341","0.1453","","","","","","0.967","","","","has coordinates","211042","2020-10-21","18:00:00",""
"1543391","10.13364","0.00019","14.6711","0.0002","19.7677","0.0004","90","","90","","90","","2938.9","0.09","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 B N2 O2 -","- C40 H29 B N2 O2 -","- C160 H116 B4 N8 O8 -","4","1","","Roose, Jesse; Leung, Anakin Chun Sing; Wang, Jia; Peng, Qian; Sung, Herman H.-Y.; Williams, Ian Duncan; Tang, Ben Zhong","A colour-tunable chiral AIEgen: reversible coordination, enantiomer discrimination and morphology visualization","Chem. Sci.","2016","7","9","6106","","10.1039/C6SC01614F","","x-ray","1.54184","CuKα","","0.0404","0.033","","","0.0791","0.0824","","","","","","1.002","","","","has coordinates","186327","2020-10-21","18:00:00",""
"1543426","24.9817","0.0018","11.9639","0.0009","26.6933","0.0019","90","","95.7654","0.0013","90","","7937.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 B Mn N7 O0.5 -","- C44 H48 B Mn N7 O0.5 -","- C352 H384 B8 Mn8 N56 O4 -","8","2","","Ding, Mei; Cutsail, 3rd, George E; Aravena, Daniel; Amoza, Martín; Rouzières, Mathieu; Dechambenoit, Pierre; Losovyj, Yaroslav; Pink, Maren; Ruiz, Eliseo; Clérac, Rodolphe; Smith, Jeremy M.","A Low Spin Manganese(IV) Nitride Single Molecule Magnet.","Chemical science","2016","7","9","6132","6140","10.1039/C6SC01469K","","","0.41328","synchrotron","","0.1176","0.0646","","","0.1611","0.1935","","","","","","1.096","","","","has coordinates","188065","2020-10-21","18:00:00",""
"1543427","19.4894","0.001","16.2426","0.0009","49.107","0.003","90","","90.164","0.003","90","","15545.2","1.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 B Cl Mn N6 -","- C42 H44 B Cl Mn N6 -","- C672 H704 B16 Cl16 Mn16 N96 -","16","2","","Ding, Mei; Cutsail, 3rd, George E; Aravena, Daniel; Amoza, Martín; Rouzières, Mathieu; Dechambenoit, Pierre; Losovyj, Yaroslav; Pink, Maren; Ruiz, Eliseo; Clérac, Rodolphe; Smith, Jeremy M.","A Low Spin Manganese(IV) Nitride Single Molecule Magnet.","Chemical science","2016","7","9","6132","6140","10.1039/C6SC01469K","","","0.71073","MoKα","","0.1088","0.0581","","","0.1295","0.1548","","","","","","1.035","","","","has coordinates","188065","2020-10-21","18:00:00",""
"1543428","6.8957","0.0003","18.2571","0.0008","26.4728","0.0013","90","","91.3638","0.0019","90","","3331.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 O3 S -","- C38 H36 N2 O3 S -","- C152 H144 N8 O12 S4 -","4","1","","Yadagiri, Dongari; Reddy, Angula Chandra Shekar; Anbarasan, Pazhamalai","Rhodium catalyzed diastereoselective synthesis of 2,2,3,3-tetrasubstituted indolines from N-sulfonyl-1,2,3-triazoles and ortho-vinylanilines","Chem. Sci.","2016","7","9","5934","","10.1039/C6SC01075J","","x-ray","0.71073","MoKα","","0.1049","0.0642","","","0.1774","0.2138","","","","","","1.063","","","","has coordinates","186334","2020-10-21","18:00:00",""
"1543429","8.5621","0.0003","12.1149","0.0004","25.0836","0.001","90","","99.7094","0.0014","90","","2564.63","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C120 H112 N8 O8 S4 -","4","1","","Yadagiri, Dongari; Reddy, Angula Chandra Shekar; Anbarasan, Pazhamalai","Rhodium catalyzed diastereoselective synthesis of 2,2,3,3-tetrasubstituted indolines from N-sulfonyl-1,2,3-triazoles and ortho-vinylanilines","Chem. Sci.","2016","7","9","5934","","10.1039/C6SC01075J","","x-ray","0.71073","MoKα","","0.0562","0.0398","","","0.0961","0.1069","","","","","","1.016","","","","has coordinates","186334","2020-10-21","18:00:00",""
"1543430","9.9852","0.0004","10.521","0.0005","22.3329","0.0009","90","","97.84","0.003","90","","2324.24","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 B10 O2 -","- C4 H14 B10 O2 -","- C32 H112 B80 O16 -","8","2","","Zhao, Da; Xie, Zuowei","[3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane","Chem. Sci.","2016","7","9","5635","","10.1039/C6SC01566B","","","0.71073","MoKα","","0.2063","0.1094","","","0.2933","0.3778","","","","","","1.035","","","","has coordinates,has disorder","186340","2020-10-21","18:00:00",""
"1543431","9.8848","0.001","9.8277","0.001","20.924","0.002","90","","90","","90","","2032.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 N O2 -","- C2 H9 B10 N O2 -","- C16 H72 B80 N8 O16 -","8","1","","Zhao, Da; Xie, Zuowei","[3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane","Chem. Sci.","2016","7","9","5635","","10.1039/C6SC01566B","","","0.71073","MoKα","","0.0981","0.0696","","","0.1837","0.214","","","","","","1.041","","","","has coordinates","186340","2020-10-21","18:00:00",""
"1543432","18.9522","0.0004","12.8653","0.0002","33.3636","0.001","90","","96.738","0.002","90","","8078.7","0.3","291","2","291.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H17 N3 O3 S -","- C21 H17 N3 O3 S -","- C336 H272 N48 O48 S16 -","16","4","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.0673","0.0536","","","0.1371","0.1486","","","","","","1.069","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543433","11.2983","0.0004","40.617","0.002","11.3731","0.0004","90","","112.949","0.004","90","","4806.1","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H19 F3 N2 O3 S -","- C25 H19 F3 N2 O3 S -","- C200 H152 F24 N16 O24 S8 -","8","4","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.092","0.0784","","","0.2049","0.2157","","","","","","1.065","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543434","9.6612","0.0002","14.6195","0.0003","20.0326","0.0005","90","","90","","90","","2829.44","0.11","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Br N3 O4 S -","- C32 H26 Br N3 O4 S -","- C128 H104 Br4 N12 O16 S4 -","4","1","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.0464","0.0395","","","0.0951","0.1017","","","","","","1.041","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543435","13.9587","0.0012","3.8076","0.0003","14.2557","0.0012","90","","111.997","0.003","90","","702.52","0.1","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","diketone","","- C22 H12 O2 -","- C22 H12 O2 -","- C44 H24 O4 -","2","1","","Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian","Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings","Chem. Sci.","2016","7","9","6176","","10.1039/C6SC01795A","","","0.71073","MoKα","","0.0453","0.0369","","","0.0853","0.0895","","","","","","1.036","","","","has coordinates","186343","2020-10-21","18:00:00",""
"1543436","20.925","0.002","8.4456","0.001","34.677","0.004","90","","91.177","0.003","90","","6127","1.2","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 N -","- C42 H37 N -","- C336 H296 N8 -","8","2","","Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian","Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings","Chem. Sci.","2016","7","9","6176","","10.1039/C6SC01795A","","","0.71073","MoKα","","0.1248","0.0652","","","0.1536","0.1851","","","","","","1.03","","","","has coordinates,has disorder","186343","2020-10-21","18:00:00",""
"1543439","19.469","0.003","12.2196","0.0016","16.391","0.002","90","","102.099","0.003","90","","3812.9","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N2 O3 Pd -","- C47 H46 N2 O3 Pd -","- C188 H184 N8 O12 Pd4 -","4","1","","Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming","Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs","Chem. Sci.","2016","7","9","6083","","10.1039/C6SC00462H","","","1.54178","CuKα","","0.0323","0.0323","","","0.0884","0.0885","","","","","","1.043","","","","has coordinates","186325","2020-10-21","18:00:00",""
"1543440","15.2388","0.0013","14.5866","0.0013","15.9868","0.0014","90","","106.442","0.0018","90","","3408.3","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 F2 N2 O Pd -","- C43 H36 F2 N2 O Pd -","- C172 H144 F8 N8 O4 Pd4 -","4","1","","Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming","Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs","Chem. Sci.","2016","7","9","6083","","10.1039/C6SC00462H","","","1.54178","CuKα","","0.0384","0.0379","","","0.1013","0.1019","","","","","","1.038","","","","has coordinates,has disorder","186325","2020-10-21","18:00:00",""
"1543441","10.9741","0.0004","21.744","0.0008","15.245","0.0011","90","","96.681","0.007","90","","3613.1","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","mini-15021","","","- C40 H56 Fe N2 O -","- C40 H56 Fe N2 O -","- C160 H224 Fe4 N8 O4 -","4","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.1016","0.0697","","","0.1171","0.1268","","","","","","1.151","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543442","25.7232","0.0018","12.6083","0.0004","38.521","0.004","90","","92.547","0.009","90","","12481","1.6","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","007-14177","","","- C69 H89 Fe3 N8 -","- C69 H89 Fe3 N8 -","- C552 H712 Fe24 N64 -","8","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","1.54187","CuKα","","0.113","0.0756","","","0.1807","0.218","","","","","","0.975","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543443","26.1506","0.0018","12.4838","0.0002","39.818","0.004","90","","90.725","0.009","90","","12997.9","1.6","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","spider-14106","","","- C71 H95 Fe3 N8 -","- C71 H95 Fe3 N8 -","- C568 H760 Fe24 N64 -","8","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0675","0.0483","","","0.1121","0.1216","","","","","","1.044","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543444","11.6617","0.0004","12.8275","0.0004","17.826","0.003","110.292","0.007","99.483","0.008","103.94","0.007","2335.4","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","spider-14080","","","- C51 H66 Fe2 N6 -","- C51 H66 Fe2 N6 -","- C102 H132 Fe4 N12 -","2","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0425","0.0349","","","0.0883","0.0924","","","","","","1.05","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543445","12.7872","0.0008","12.8768","0.0008","14.4731","0.0009","77.782","0.001","84.648","0.001","82.055","0.001","2301.7","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","holkg01","","","- C48 H66 Fe2 N4 O3 -","- C48 H66 Fe2 N4 O3 -","- C96 H132 Fe4 N8 O6 -","2","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71073","MoKα","","0.1124","0.0534","","","0.1037","0.125","","","","","","1.009","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543446","10.8292","0.0017","12.1016","0.0019","12.4355","0.0019","104.019","0.007","113.332","0.008","108.094","0.008","1291.9","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","mini-14047","","","- C60 H64 Fe2 N4 -","- C60 H64 Fe2 N4 -","- C60 H64 Fe2 N4 -","1","0.5","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.094","0.0734","","","0.168","0.1794","","","","","","1.171","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543447","8.1716","0.0002","18.2611","0.0003","17.0223","0.0012","90","","99.181","0.007","90","","2507.6","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","spider-14140","","","- C31 H34 Fe N2 -","- C31 H34 Fe N2 -","- C124 H136 Fe4 N8 -","4","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0434","0.0376","","","0.0923","0.0956","","","","","","1.089","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543464","18.5357","0.0005","20.6392","0.001","14.1552","0.0007","90","","90","","90","","5415.2","0.4","198","2","198","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C59 H52 B4 Cl2 N4 O8 S2 -","- C59 H52 B4 Cl2 N4 O8 S2 -","- C236 H208 B16 Cl8 N16 O32 S8 -","4","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0965","0.0691","","","0.1682","0.219","","","","","","1.142","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543465","13.734","0.0006","14.1169","0.0005","20.8001","0.0007","90","","122.833","0.002","90","","3388.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 B4 Cl12 N4 O8 S2 -","- C58 H52 B4 Cl12 N4 O8 S2 -","- C116 H104 B8 Cl24 N8 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.063","0.0518","","","0.127","0.1371","","","","","","1.149","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543466","10.54186","0.00019","12.9408","0.0002","14.3073","0.0003","69.8702","0.0007","73.699","0.0007","79.771","0.0007","1751.79","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 B4 Cl12 N4 O8 S2 -","- C62 H54 B4 Cl12.06 N4 O8 S2 -","- C62 H54 B4 Cl12.06 N4 O8 S2 -","1","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0769","0.0514","","","0.1284","0.1637","","","","","","1.12","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543467","13.7207","0.0003","14.0837","0.0003","20.4986","0.0003","90","","122.84","0.001","90","","3328.08","0.12","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 B4 Cl15 N4 O8 S2 -","- C49 H45 B4 Cl15 N4 O8 S2 -","- C98 H90 B8 Cl30 N8 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0536","0.0481","","","0.1183","0.1233","","","","","","1.077","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543468","13.6699","0.0007","14.0308","0.0009","20.6325","0.0009","90","","122.572","0.003","90","","3334.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 B4 Cl12 N4 O8 S3 -","- C56 H50 B4 Cl12 N4 O8 S3 -","- C112 H100 B8 Cl24 N8 O16 S6 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0704","0.0503","","","0.1339","0.1473","","","","","","1.047","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543469","13.6823","0.0012","14.0543","0.0013","20.5851","0.0014","90","","122.711","0.004","90","","3330.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 B4 Cl12 N4 O9 S2 -","- C56 H50 B4 Cl12 N4 O9 S2 -","- C112 H100 B8 Cl24 N8 O18 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0614","0.0502","","","0.1366","0.1455","","","","","","1.05","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543470","13.6829","0.001","14.0362","0.001","20.6735","0.0011","90","","122.667","0.003","90","","3342.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H51 B4 Cl12 N5 O8 S2 -","- C57 H51 B4 Cl12 N5 O8 S2 -","- C114 H102 B8 Cl24 N10 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0668","0.0563","","","0.1492","0.1576","","","","","","1.052","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543487","10.5","0.008","7.818","0.006","16.997","0.013","90","","103.529","0.009","90","","1356.6","1.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Co(Tpm)2","","","- C20 H20 Cl2 Co N12 O8 -","- C20 H20 Cl2 Co N12 O8 -","- C40 H40 Cl4 Co2 N24 O16 -","2","0.5","","Zhang, Yuan-Zhu; Gómez-Coca, Silvia; Brown, Andrew J.; Saber, Mohamed R.; Zhang, Xuan; Dunbar, Kim R.","Trigonal antiprismatic Co(ii) single molecule magnets with large uniaxial anisotropies: importance of Raman and tunneling mechanisms","Chem. Sci.","2016","7","10","6519","","10.1039/C6SC02035F","","","0.71073","MoKα","","0.0746","0.0602","","","0.1635","0.176","","","","","","1.078","","","","has coordinates","187023","2020-10-21","18:00:00",""
"1543488","9.7482","0.0008","17.1636","0.0014","18.9136","0.0016","90","","98.5041","0.0009","90","","3129.7","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Co(Tpm)2(BPh4)2","","","- C72 H66 B2 Co N14 -","- C72 H66 B2 Co N14 -","- C144 H132 B4 Co2 N28 -","2","0.5","","Zhang, Yuan-Zhu; Gómez-Coca, Silvia; Brown, Andrew J.; Saber, Mohamed R.; Zhang, Xuan; Dunbar, Kim R.","Trigonal antiprismatic Co(ii) single molecule magnets with large uniaxial anisotropies: importance of Raman and tunneling mechanisms","Chem. Sci.","2016","7","10","6519","","10.1039/C6SC02035F","","","0.71073","MoKα","","0.0383","0.0323","","","0.0762","0.0796","","","","","","1.039","","","","has coordinates","187023","2020-10-21","18:00:00",""
"1543489","7.1039","0.0005","8.2133","0.0006","17.348","0.0012","102.227","0.006","90.177","0.006","90.407","0.006","989.2","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O3 P2 -","- C21 H22 O3 P2 -","- C42 H44 O6 P4 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0539","0.0476","","","0.128","0.1319","","","","","","1.105","","","","has coordinates","186338","2020-10-21","18:00:00",""
"1543490","9.4422","0.0004","10.657","0.0004","24.5794","0.001","90","","100.252","0.0007","90","","2433.83","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","124-thiodiphospholide","sodium(1-thio-2,4-diphosphol-5-mesitoyl-3-olate)","","- C38 H62 Na2 O10 P4 S2 -","- C37.9936 H61.984 Na2 O9.9968 P4 S2 -","- C75.9872 H123.968 Na4 O19.9936 P8 S4 -","2","0.5","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0612","0.0501","","","0.1225","0.131","","","","","","1.065","","","","has coordinates,has disorder","186338","2020-10-21","18:00:00",""
"1543491","7.1716","0.0004","8.4029","0.0007","17.181","0.002","80.076","0.009","88.792","0.008","86.067","0.006","1017.43","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-thio-2,4-diphospholo-5-mesityl-3-mesitoylester","","- C21 H22 O2 P2 S -","- C21 H22 O2 P2 S -","- C42 H44 O4 P4 S2 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0929","0.0547","","","0.1027","0.1102","","","","","","0.898","","","","has coordinates","186338","2020-10-21","18:00:00",""
"1543493","24.4","0.001","14.864","0.001","17.233","0.001","90","","108.543","0.003","90","","5925.6","0.6","100","","100","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C194 H92 Cl4 Li2 N8 Ni2 -","- C193.996 H91.9936 Cl3.992 Li2 N8 Ni2 -","- C387.992 H183.987 Cl7.984 Li4 N16 Ni4 -","2","0.5","","Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken","Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride","Chem. Sci.","2016","7","9","5770","","10.1039/C6SC01209D","","","0.41286","synchrotron","","0.0624","0.0611","","","0.155","0.1569","","","","","","0.964","","","","has coordinates","186337","2020-10-21","18:00:00",""
"1543494","24.505","0.001","14.95","0.002","17.435","0.001","90","","108.799","0.003","90","","6046.6","0.9","250","","250","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C194 H92 Cl4 Li2 N8 Ni2 -","- C193.996 H91.9968 Cl3.992 Li2 N8 Ni2 -","- C387.992 H183.994 Cl7.984 Li4 N16 Ni4 -","2","0.25","","Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken","Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride","Chem. Sci.","2016","7","9","5770","","10.1039/C6SC01209D","","","0.41286","synchrotron","","0.0644","0.063","","","0.1484","0.1501","","","","","","0.854","","","","has coordinates","186337","2020-10-21","18:00:00",""
"1543497","10.8375","0.0004","9.941","0.0003","11.3983","0.0004","90","","101.181","0.004","90","","1204.69","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","dimethyl 2-((4-tert-butyl-5-morpholinooxazol-2-yl)(phenyl)methyl)malonate","","- C23 H30 N2 O6 -","- C23 H29 N2 O6 -","- C46 H58 N4 O12 -","2","1","","Luo, Weiwei; Yuan, Xiao; Lin, Lili; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","A N,N′-dioxide/Mg(OTf)2complex catalyzed enantioselective α-addition of isocyanides to alkylidene malonates","Chem. Sci.","2016","7","7","4736","","10.1039/C6SC00689B","","x-ray","1.54184","CuKα","","0.0762","0.0735","","","0.1906","0.1967","","","","","","1.051","","","","has coordinates","185124","2020-10-21","18:00:00",""
"1543512","25.72","0.002","7.5763","0.0007","7.2135","0.0007","90","","92.727","0.003","90","","1404","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 F5 I N3 -","- C14 H5 F5 I N3 -","- C56 H20 F20 I4 N12 -","4","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","","0.017","","","","0.0495","","","","","","1.084","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543513","40.169","0.006","11.394","0.0013","9.9435","0.0012","90","","95.318","0.003","90","","4531.4","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 F5 I N3 -","- C22 H21 F5 I N3 -","- C176 H168 F40 I8 N24 -","8","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0403","0.0372","","","0.1093","0.115","","","","","","1.069","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543514","10.646","0.006","11.018","0.006","12.134","0.005","93.081","0.007","96.436","0.012","113.187","0.011","1292.6","1.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F4 I N4 O -","- C27 H25 F4 I N4 O -","- C54 H50 F8 I2 N8 O2 -","2","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0402","0.0381","","","0.0926","0.0983","","","","","","0.917","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543515","7.1624","0.0011","7.4352","0.0013","33.215","0.005","90","","90","","90","","1768.8","0.5","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H10 F4 I N3 -","- C20 H10 F4 I N3 -","- C80 H40 F16 I4 N12 -","4","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0234","0.0219","","","0.0517","0.052","","","","","","1.011","","","","has coordinates","187020","2020-10-21","18:00:00",""
"1543516","11.9881","0.0006","17.8532","0.0007","12.4745","0.0007","90","","109.769","0.006","90","","2512.5","0.2","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 N4 Ni2 Zn4 -","- C42 H72 N4 Ni2 Zn4 -","- C84 H144 N8 Ni4 Zn8 -","2","0.5","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","1.54184","CuKα","","0.0523","0.0371","","","0.093","0.1054","","","","","","1.056","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543517","9.2494","0.0004","10.0833","0.0004","15.9728","0.0006","100.172","0.003","92.322","0.003","109.339","0.004","1375.66","0.1","107","2","107","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H45 Ni P3 Zn2 -","- C20 H45 Ni P3 Zn2 -","- C40 H90 Ni2 P6 Zn4 -","2","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.0407","0.0348","","","0.0897","0.0961","","","","","","1.051","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543518","11.824","0.0009","17.8591","0.001","16.3145","0.0009","90","","92.362","0.005","90","","3442.1","0.4","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 Ni P2 Zn4 -","- C28 H54 Ni P2 Zn4 -","- C112 H216 Ni4 P8 Zn16 -","4","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.0671","0.037","","","0.0935","0.0977","","","","","","0.94","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543519","12.2816","0.0003","13.0205","0.0004","29.8246","0.0008","100.247","0.002","97.965","0.002","90.646","0.002","4644.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H150 P2 Pd3 Zn6 -","- C97.007 H150.008 P2 Pd3 Zn6 -","- C194.014 H300.016 P4 Pd6 Zn12 -","2","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","1.54184","CuKα","","0.0472","0.0349","","","0.0841","0.091","","","","","","1.02","","","","has coordinates,has disorder","187022","2020-10-21","18:00:00",""
"1543520","25.6662","0.0006","25.5792","0.0006","35.0042","0.0008","90","","90","","90","","22981","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H86 N2 Pd Zn4 -","- C57 H86 N2 Pd Zn4 -","- C912 H1376 N32 Pd16 Zn64 -","16","2","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.127","0.0585","","","0.1308","0.1725","","","","","","1.086","","","","has coordinates,has disorder","187022","2020-10-21","18:00:00",""
"1543553","7.9301","0.0002","11.6306","0.0003","25.2568","0.0005","90","","90","","90","","2329.48","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O5 -","- C26 H36 O5 -","- C104 H144 O20 -","4","1","","Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui","Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities","Chem. Sci.","2016","7","10","6563","","10.1039/C6SC02464E","","","1.54178","CuKα","","0.0345","0.0341","","","0.0985","0.0989","","","","","","1.083","","","","has coordinates","187021","2020-10-21","18:00:00",""
"1543554","15.9092","0.0004","18.9397","0.0005","8.0829","0.0002","90","","90","","90","","2435.5","0.11","298","2","298","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26.5 H36 O7.5 -","- C26.5 H36 O7.5 -","- C106 H144 O30 -","4","1","","Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui","Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities","Chem. Sci.","2016","7","10","6563","","10.1039/C6SC02464E","","","1.54178","CuKα","","0.0411","0.0407","","","0.1136","0.114","","","","","","1.046","","","","has coordinates,has disorder","187021","2020-10-21","18:00:00",""
"1543568","17.4037","0.0017","14.1343","0.0013","20.914","0.002","90","","111.783","0.0015","90","","4777.3","0.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H40 Al2 F72 N2 O8 -","- C78 H40 Al2 F72 N2 O8 -","- C156 H80 Al4 F144 N4 O16 -","2","0.5","","Su, Yuanting; Wang, Xingyong; Wang, Lei; Zhang, Zaichao; Wang, Xinping; Song, You; Power, Philip P.","Thermally controlling the singlet‒triplet energy gap of a diradical in the solid state","Chem. Sci.","2016","7","10","6514","","10.1039/C6SC01825D","","","0.71073","MoKα","","0.1298","0.0905","","","0.2169","0.2438","","","","","","1.052","","","","has coordinates,has disorder","187024","2020-10-21","18:00:00",""
"1543569","17.262","0.003","13.956","0.002","20.301","0.003","90","","109.105","0.003","90","","4621.3","1.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H40 Al2 F72 N2 O8 -","- C78 H40 Al2 F72 N2 O8 -","- C156 H80 Al4 F144 N4 O16 -","2","0.5","","Su, Yuanting; Wang, Xingyong; Wang, Lei; Zhang, Zaichao; Wang, Xinping; Song, You; Power, Philip P.","Thermally controlling the singlet‒triplet energy gap of a diradical in the solid state","Chem. Sci.","2016","7","10","6514","","10.1039/C6SC01825D","","","0.71073","MoKα","","0.0691","0.0489","","","0.1394","0.1581","","","","","","1.061","","","","has coordinates,has disorder","187024","2020-10-21","18:00:00",""
"1543577","10.0629","0.0004","10.0629","0.0004","28.901","0.003","90","","90","","90","","2926.6","0.3","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H35 Fe N P2 -","- C33 H35 Fe N P2 -","- C132 H140 Fe4 N4 P8 -","4","1","","Chen, Caiyou; Wang, Heng; Zhang, Zhefan; Jin, Shicheng; Wen, Songwei; Ji, Jianjian; Chung, Lung Wa; Dong, Xiu-Qin; Zhang, Xumu","Ferrocenyl chiral bisphosphorus ligands for highly enantioselective asymmetric hydrogenation via noncovalent ion pair interaction","Chem. Sci.","2016","7","11","6669","","10.1039/C6SC01845A","","","0.71073","MoKα","","0.0589","0.042","","","0.0948","0.1043","","","","","","1.024","","","","has coordinates","188060","2020-10-21","18:00:00",""
"1543600","9.6686","0.0001","35.1961","0.0004","15.4447","0.0002","90","","100.103","0.0012","90","","5174.29","0.11","100","","100","","","","","","","","synthesis","6","P 1 21/n 1","-P 2yn","14","","24","","- C23 H27 I N4 O5 S2 -","- C23 H27 I N4 O5 S2 -","- C184 H216 I8 N32 O40 S16 -","8","2","","Peacock, Hayden; Luo, Jinghui; Yamashita, Tohru; Luccarelli, James; Thompson, Sam; Hamilton, Andrew D.","Non-covalent S⋯O interactions control conformation in a scaffold that disrupts islet amyloid polypeptide fibrillation","Chem. Sci.","2016","7","10","6435","","10.1039/C6SC00756B","","","0.6889","Synchrotron","","0.0525","0.0372","","0.0763","0.066","0.0763","","","","","","0.9203","","","","has coordinates","187025","2020-10-21","18:00:00",""
"1543631","15.7112","0.0006","15.4073","0.001","21.2986","0.0012","90","","90","","90","","5155.7","0.5","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H26 -","- C38 H26 -","- C304 H208 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.086","0.0398","","","0.0794","0.0978","","","","","","1.031","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543632","22.5254","0.0005","17.7308","0.0004","24.2495","0.0005","90","","98.636","0.001","90","","9575.3","0.4","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C70 H46 -","- C70 H46 -","- C560 H368 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1016","0.0417","","","0.0836","0.112","","","","","","1.028","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543633","16.2638","0.0011","21.1086","0.0015","14.1182","0.001","90","","115.136","0.002","90","","4387.9","0.5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 -","- C54 H36 -","- C216 H144 -","4","0.5","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.078","0.0525","","","0.1543","0.1701","","","","","","1.044","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543634","16.4358","0.001","19.7791","0.0012","10.5249","0.0006","90","","107.835","0.0006","90","","3257.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F2 -","- C22 H14 F2 -","- C176 H112 F16 -","8","2","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0704","0.0433","","","0.0981","0.1156","","","","","","1.012","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543635","15.7303","0.0014","15.2924","0.0017","23.248","0.003","90","","90","","90","","5592.4","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H22 F4 -","- C38 H22 F4 -","- C304 H176 F32 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1003","0.0403","","","0.0837","0.1097","","","","","","1.002","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543636","21.8211","0.0007","19.2793","0.0006","19.7602","0.0008","90","","90","","90","","8313","0.5","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C54 H30 F6 -","- C54 H30 F6 -","- C432 H240 F48 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0557","0.0326","","","0.067","0.0743","","","","","","0.983","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543637","11.1751","0.0004","12.6389","0.0005","19.118","0.0007","83.981","0.002","85.728","0.002","64.491","0.002","2422.29","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H34 F8 -","- C64 H34 F8 -","- C128 H68 F16 -","2","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1096","0.0613","","","0.1925","0.2147","","","","","","1.035","","","","has coordinates,has disorder","187027","2020-10-21","18:00:00",""
"1543638","22.2731","0.0011","22.2731","0.0011","7.127","0.0006","90","","90","","90","","3535.6","0.4","223","2","223","2","","","","","","","","3","P 4 c c","P 4 -2c","103","","","","- C22 H14 Cl2 -","- C22 H14 Cl2 -","- C176 H112 Cl16 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0718","0.0454","","","0.111","0.1247","","","","","","0.997","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543639","20.7464","0.0008","13.0281","0.0005","24.8595","0.0011","90","","107.709","0.002","90","","6400.8","0.5","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H22.5 Cl5.5 -","- C38.5 H22.5 Cl5.5 -","- C308 H180 Cl44 -","8","2","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0966","0.0533","","","0.1286","0.155","","","","","","1","","","","has coordinates","187027","2020-10-21","18:00:00",""
"1543643","11.31","0.0002","10.2958","0.0002","17.6004","0.0003","90","","95.49","0.001","90","","2040.09","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Cl4 La2 O12 -","- C24 H56 Cl4 La2 O12 -","- C48 H112 Cl8 La4 O24 -","2","0.5","","Banger, Kulbinder; Warwick, Christopher; Lang, Jiang; Broch, Katharina; Halpert, Jonathan E.; Socratous, Josephine; Brown, Adam; Leedham, Timothy; Sirringhaus, Henning","Identification of dipole disorder in low temperature solution processed oxides: its utility and suppression for transparent high performance solution-processed hybrid electronics","Chem. Sci.","2016","7","10","6337","","10.1039/C6SC01962E","","","0.71073","MoKα","","0.0467","0.0259","","","0.0548","0.0564","","","","","","0.963","","","","has coordinates","187026","2020-10-21","18:00:00",""
"1543644","10.364","0.002","19.222","0.004","15.466","0.004","90","","103.941","0.003","90","","2990.3","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H Cl7 F15 O2 Sb -","- C25 H Cl7 F15 O2 Sb -","- C100 H4 Cl28 F60 O8 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0357","0.0266","","","0.0583","0.064","","","","","","1.047","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543645","10.0997","0.0006","17.0938","0.0011","22.0155","0.0014","69.649","0.002","78.072","0.002","89.884","0.002","3476.5","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.25 H15.5 Cl4.5 F15 O3 P Sb -","- C30.25 H15.5 Cl4.5 F15 O3 P Sb -","- C121 H62 Cl18 F60 O12 P4 Sb4 -","4","2","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.05","0.0409","","","0.0992","0.1047","","","","","","1.092","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543646","17.7168","0.001","11.1989","0.0007","20.8571","0.0012","90","","105.423","0.003","90","","3989.2","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl4 F15 O3 P Sb -","- C37 H29 Cl4 F15 O3 P Sb -","- C148 H116 Cl16 F60 O12 P4 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0516","0.0328","","","0.0635","0.0714","","","","","","1.034","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543647","11.1609","0.0018","16.856","0.003","21.036","0.003","105.844","0.003","94.824","0.003","102.789","0.003","3668.3","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74.5 H53 Cl13 O4 P2 Sb2 -","- C74.5 H53 Cl13 O4.221 P2 Sb2 -","- C149 H106 Cl26 O8.442 P4 Sb4 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0699","0.0424","","","0.0975","0.1177","","","","","","1.046","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543648","10.758","0.0005","11.0777","0.0005","12.9446","0.0006","108.732","0.003","90.137","0.003","115.76","0.003","1297.41","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 F10 P Sb -","- C30 H14 F10 P Sb -","- C60 H28 F20 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0524","0.0366","","","0.0727","0.0796","","","","","","1.026","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543649","10.129","0.003","13.412","0.003","14.339","0.004","99.327","0.006","96.206","0.006","110.765","0.006","1768.2","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H14 Cl4 F10 O2 P Sb -","- C36 H14 Cl4 F10 O2 P Sb -","- C72 H28 Cl8 F20 O4 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0432","0.0332","","","0.0766","0.0809","","","","","","1.037","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543650","11.241","0.004","12.544","0.004","13.673","0.004","73.997","0.004","71.62","0.004","64.203","0.004","1625.5","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 Cl4 O3 P Sb -","- C37 H26 Cl4 O3 P Sb -","- C74 H52 Cl8 O6 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0824","0.0479","","","0.0925","0.109","","","","","","1.041","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543651","13.9283","0.0006","13.9709","0.0006","14.2499","0.0007","102.466","0.002","110.1","0.002","106.711","0.002","2336.4","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.5 H18.5 Cl11.5 F10 O3 P Sb -","- C39.5 H18.5 Cl11.5 F10 O3 P Sb -","- C79 H37 Cl23 F20 O6 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0531","0.0462","","","0.1323","0.1381","","","","","","1.059","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543652","11.0232","0.0007","15.2532","0.001","28.605","0.002","90","","100.049","0.004","90","","4735.8","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 Cl7 F10 O3 P Sb -","- C42.725 H27.685 Cl7.765 F10 O3 P Sb -","- C170.9 H110.74 Cl31.06 F40 O12 P4 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.1457","0.1255","","","0.3128","0.3272","","","","","","1.175","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543685","10.124","0.002","10.455","0.003","17.03","0.004","90.017","0.005","94.225","0.007","109.592","0.006","1693","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C80 H88 N4 O8 -","2","1","","Xin, Hanshen; Ge, Congwu; Yang, Xiaodi; Gao, Honglei; Yang, Xiaochun; Gao, Xike","Biazulene diimides: a new building block for organic electronic materials","Chem. Sci.","2016","7","11","6701","","10.1039/C6SC02504H","","","0.71073","MoKα","","0.1956","0.0785","","","0.1806","0.2416","","","","","","0.99","","","","has coordinates,has disorder","188061","2020-10-21","18:00:00",""
"1543711","29.394","0.001","5.619","0.0002","25.1528","0.001","90","","104.918","0.002","90","","4014.3","0.3","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Na O4.5 P S2 -","- C16 H21 Na O4.5 P S2 -","- C128 H168 Na8 O36 P8 S16 -","8","2","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0581","0.0532","","","0.1414","0.1449","","","","","","1.08","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543712","48.8875","0.0019","6.1721","0.0002","13.7803","0.0005","90","","103.831","0.003","90","","4037.5","0.3","100","2","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C89 H98 Cl2 N8 O8 P2 S2 -","- C89 H98 Cl2 N8 O8 P2 S2 -","- C178 H196 Cl4 N16 O16 P4 S4 -","2","0.5","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0517","0.0488","","","0.1288","0.1311","","","","","","1.042","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543713","18.1695","0.0007","9.2664","0.0004","22.3","0.0009","90","","101.881","0.003","90","","3674.1","0.3","100","2","99.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 B F4 O3 P2 Pt S3 -","- C36 H37 B F4 O3 P2 Pt S3 -","- C144 H148 B4 F16 O12 P8 Pt4 S12 -","4","1","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0708","0.0445","","","0.0989","0.1116","","","","","","1.017","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543714","12.3832","0.0006","12.7027","0.0006","13.6428","0.0006","79.884","0.003","76.218","0.003","63.75","0.003","1863.19","0.16","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","pyridinium BArF","","- C37 H18 B F24 N -","- C37 H18 B F24 N -","- C74 H36 B2 F48 N2 -","2","1","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","0.71073","MoKα","","0.0877","0.0636","","","0.1666","0.183","","","","","","1.06","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543741","9.4679","0.0001","11.3192","0.0002","16.4547","0.0003","90.276","0.001","105.53","0.001","90.509","0.001","1698.94","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl N O2 -","- C18 H22 Cl N O2 -","- C72 H88 Cl4 N4 O8 -","4","2","","Poh, Jian-Siang; Lau, Shing-Hing; Dykes, Iain G.; Tran, Duc N.; Battilocchio, Claudio; Ley, Steven V.","A multicomponent approach for the preparation of homoallylic alcohols","Chem. Sci.","2016","7","11","6803","","10.1039/C6SC02581A","","","0.71073","MoKα","","0.0505","0.0386","","","0.0894","0.0962","","","","","","1.029","","","","has coordinates","188064","2020-10-21","18:00:00",""
"1543905","18.3767","0.0016","8.6094","0.0007","31.158","0.003","90","","100.972","0.005","90","","4839.5","0.7","100","","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrabutylammonium cobalt bis-dmit","","- C38 H72 Co N2 S10 -","- C38 H72 Co N2 S10 -","- C152 H288 Co4 N8 S40 -","4","0.5","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","x-ray","0.71073","MoKα","","0.0941","0.0586","","","0.0971","0.1069","","","","","","1.119","","","","has coordinates","185847","2020-10-21","18:00:00",""
"1543906","9.6545","0.0004","20.7093","0.001","35.6868","0.0014","90","","90.969","0.003","90","","7134.1","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[bis(triphenylphosphine)iminium]2[Co(dmit)2]","","- C78 H60 Co N2 P4 S10 -","- C78 H60 Co N2 P4 S10 -","- C312 H240 Co4 N8 P16 S40 -","4","1","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","","1.54178","CuKα","","0.0656","0.0454","","","0.1041","0.118","","","","","","1.053","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543907","9.8761","0.0016","17.519","0.003","37.155","0.006","90","","92.211","0.005","90","","6423.7","1.8","100","2","99.88","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(18-crown-6)K]2[Co(dmit)2]","","- C46 H80 Co K2 O16 S10 -","- C46 H79 Co K2 O16 S10 -","- C184 H316 Co4 K8 O64 S40 -","4","1","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","","0.71073","MoKα","","0.1324","0.0888","","","0.2647","0.3075","","","","","","1.098","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1544038","10.0156","0.0005","10.1116","0.0003","29.1958","0.001","92.445","0.002","96.7","0.003","104.735","0.003","2831.9","0.2","140","2","140.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 N2 O4 S4 -","- C45.9293 H28 N1.33333 O3.28 S2.66667 -","- C137.788 H84 N4 O9.84 S8 -","3","1.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.1266","0.0686","","","0.1614","0.1949","","","","","","1.048","","","","has coordinates,has disorder","186281","2020-10-21","18:00:00",""
"1544039","19.904","0.002","8.9529","0.0011","24.941","0.002","90","","90","","90","","4444.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 N2 O4 S2 -","- C50 H40 N2 O6 S2 -","- C200 H160 N8 O24 S8 -","4","0.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.1621","0.0763","","","0.1734","0.2315","","","","","","1.153","","","","has coordinates","186281","2020-10-21","18:00:00",""
"1544040","11.0264","0.0006","10.3433","0.0014","17.0214","0.0017","90","","93.313","0.005","90","","1938","0.3","120","2","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 N2 O4 S2 -","- C46 H38 N2 O4 S2 -","- C92 H76 N4 O8 S4 -","2","0.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.0787","0.0525","","","0.1177","0.1336","","","","","","1.164","","","","has coordinates","186281","2020-10-21","18:00:00",""
"1544041","12.7253","0.0004","8.8911","0.0003","37.7183","0.0012","90","","94.23","0.002","90","","4255.9","0.2","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dithienylbenzenedithiophene bis(platinum bisacetylide)","","- C86 H126 P4 Pt2 S4 -","- C86 H126 P4 Pt2 S4 -","- C172 H252 P8 Pt4 S8 -","2","0.5","","He, Wenhan; Livshits, Maksim Y.; Dickie, Diane A.; Yang, Jianzhong; Quinnett, Rachel; Rack, Jeffrey J.; Wu, Qin; Qin, Yang","A “roller-wheel” Pt-containing small molecule that outperforms its polymer analogs in organic solar cells","Chem. Sci.","2016","7","9","5798","","10.1039/C6SC00513F","","","0.71073","MoKα","","0.0796","0.0446","","","0.0875","0.0986","","","","","","1.013","","","","has coordinates,has disorder","186282","2020-10-21","18:00:00",""
"1544042","22.6505","0.0006","11.2352","0.0003","12.7961","0.0003","90","","90","","90","","3256.39","0.14","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H33 Ca2 N3 O12 S2 -","- C24 H33 Ca2 N3 O12 S2 -","- C96 H132 Ca8 N12 O48 S8 -","4","1","","Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun","A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection","Chem. Sci.","2016","7","9","5983","","10.1039/C6SC00972G","","","1.54184","CuKα","","0.0431","0.041","","","0.0952","0.0967","","","","","","1.081","","","","has coordinates","186283","2020-10-21","18:00:00",""
"1544043","6.5562","0.0002","10.6424","0.0005","18.2951","0.0006","90","","98.07","0.003","90","","1263.88","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Ca N O6 S -","- C10 H13 Ca N O6 S -","- C40 H52 Ca4 N4 O24 S4 -","4","1","","Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun","A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection","Chem. Sci.","2016","7","9","5983","","10.1039/C6SC00972G","","","0.71073","MoKα","","0.0473","0.0345","","","0.0692","0.0777","","","","","","1.065","","","","has coordinates","186283","2020-10-21","18:00:00",""
"1544044","11.145","0.0007","24.8685","0.0014","20.3023","0.0012","90","","105.745","0.002","90","","5415.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C136.5 H112 Cl4 N10 O2 -","- C136.5 H112 Cl4 N10 O2 -","- C273 H224 Cl8 N20 O4 -","2","0.5","","Galán, Albano; Aragay, Gemma; Ballester, Pablo","A chiral “Siamese-Twin” calix[4]pyrrole tetramer","Chem. Sci.","2016","7","9","5976","","10.1039/C6SC01843B","","","0.71073","MoKα","","0.1263","0.0952","","","0.2438","0.2659","","","","","","1.113","","","","has coordinates,has disorder","186284","2020-10-21","18:00:00",""
"1544045","24.3201","0.0018","40.885","0.003","24.8903","0.0017","90","","107.986","0.002","90","","23540","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C283.25 H228 Cl5.25 N36.75 O4 -","- C283.25 H228 Cl5.25 N36.75 O4 -","- C1133 H912 Cl21 N147 O16 -","4","1","","Galán, Albano; Aragay, Gemma; Ballester, Pablo","A chiral “Siamese-Twin” calix[4]pyrrole tetramer","Chem. Sci.","2016","7","9","5976","","10.1039/C6SC01843B","","","0.71073","MoKα","","0.1321","0.0983","","","0.2594","0.2989","","","","","","1.09","","","","has coordinates,has disorder","186284","2020-10-21","18:00:00",""
"1553241","13.3249","0.0009","26.5982","0.0015","10.0862","0.0006","90","","90","","90","","3574.7","0.4","173","2","173","2","","","","","","","","3","A e m 2","A 2 -2b","39","","","","- C49 H34 Cl2 -","- C49 H32 Cl2 -","- C196 H128 Cl8 -","4","0.5","","Sisto, Thomas J.; Zakharov, Lev N.; White, Brittany M.; Jasti, Ramesh","Towards pi-extended cycloparaphenylenes as seeds for CNT growth: investigating strain relieving ring-openings and rearrangements.","Chemical science","2016","7","6","3681","3688","10.1039/c5sc04218f","","","1.54178","CuKα","","0.0809","0.075","","","0.2148","0.2231","","","","","","1.068","","","","has coordinates","233867","2020-10-21","18:00:00",""
"1553640","9.37666","0.00019","9.37666","0.00019","36.6305","0.0012","90","","90","","90","","3220.62","0.14","180.01","0.1","180.01","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","1","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","1.5418","CuKα","","0.0471","0.0421","","","0.1015","0.1052","","","","","","1.063","","","","has coordinates","235356","2020-10-21","18:00:00",""
"1553641","13.023","0.0011","21.0779","0.0016","12.8028","0.0009","90","","90.541","0.008","90","","3514.2","0.5","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H24.5 Cl1.5 N2 -","- C19.5 H24.5 Cl1.5 N2 -","- C156 H196 Cl12 N16 -","8","2","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","0.71073","MoKα","","0.1306","0.0896","","","0.2077","0.2393","","","","","","1.065","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553642","12.2491","0.0009","35.949","0.003","13.088","0.0013","90","","90","","90","","5763.2","0.9","100.02","0.18","100.02","0.18","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C18 H19 N3 -","- C18 H19 N3 -","- C288 H304 N48 -","16","2","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","0.71073","MoKα","","0.0576","0.0459","","","0.1079","0.116","","","","","","1.066","","","","has coordinates","235356","2020-10-21","18:00:00",""