# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T20:32:47+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 41' 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
"1001556","6.6858","0.0008","6.6858","0.0008","24.147","0.003","90","","90","","90","","1079.4","","","","","","","","","","","","","3","P 41","P 4w","76","","Calcium diphosphate - β","","- Ca2 O7 P2 -","- Ca2 O7 P2 -","- Ca16 O56 P16 -","8","2","","Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Redetermination of the β-Ca~2~P~2~O~7~ structure","Acta Crystallographica, Section C: Crystal Structure Communications","1993","49","12","2062","2064","10.1107/s0108270193005608","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","200074","2020-10-21","18:00:00",""
"1007166","9.466","0.005","9.466","0.005","21.933","0.003","90","","90","","90","","1965.3","","","","","","","","","","","","","4","P 41","P 4w","76","","Tetracaesium cyclo-tetraphosphate tetrahydrate","","- Cs4 H8 O16 P4 -","- Cs4 H8 O16 P4 -","- Cs16 H32 O64 P16 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of tetracaesium tetrametaphosphate tetrahydrate.","Acta Crystallographica C (39,1983-)","1986","42","","131","133","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007174","7.928","0.005","7.928","0.005","21.66","0.02","90","","90","","90","","1361.4","","","","","","","","","","","","","5","P 41","P 4w","76","","Disodium dipotassium cyclo-tetraphosphate dihydrate","","- H4 K2 Na2 O14 P4 -","- H4 K2 Na2 O14 P4 -","- H16 K8 Na8 O56 P16 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Contribution to the crystal chemistry of tetrametaphosphates (I).","Journal of Solid State Chemistry","1985","58","","119","132","10.1016/0022-4596(85)90275-0","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1503273","7.1258","0.0005","7.1258","0.0005","59.557","0.005","90","","90","","90","","3024.1","0.4","173","2","173","2","","","","","","","","4","P 41","P 4w","76","","","","- C16 H14 O7 S -","- C16 H14 O7 S -","- C128 H112 O56 S8 -","8","2","","Wang, Yinchao; Niu, Shubin; Liu, Shuchun; Guo, Liangdong; Che, Yongsheng","The first naturally occurring thiepinols and thienol from an endolichenic fungus Coniochaeta sp.","Organic letters","2010","12","21","5081","5083","10.1021/ol102168z","","","0.71073","MoKα","","0.0787","0.0749","","","0.1796","0.1847","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504673","11.9202","0.0005","11.9202","0.0005","16.0328","0.0008","90","","90","","90","","2278.12","0.18","160","1","160","1","","","","","","","","3","P 41","P 4w","76","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","","Palomo, Claudio; Oiarbide, Mikel; García, Jesús M; Bañuelos, Patricia; Odriozola, José M; Razkin, Jesús; Linden, Anthony","Catalytic Michael reactions of ketoesters with a camphor-derived acrylate equivalent: stereoselective access to all-carbon quaternary centers.","Organic letters","2008","10","13","2637","2640","10.1021/ol800564d","","","0.71073","MoKα","","0.0565","0.0412","","","0.0926","0.1011","","","","","","1.084","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507249","21.5844","0.0004","21.5844","0.0004","17.3692","0.0002","90","","90","","90","","8092.1","0.2","150","1","150","1","","","","","","","","5","P 41","P 4w","76","","","","- C84 H106 Cl4 N4 Pd2 -","- C84 H106 Cl4 N4 Pd2 -","- C336 H424 Cl16 N16 Pd8 -","4","1","","Jensen, David R.; Sigman, Matthew S.","Palladium catalysts for aerobic oxidative kinetic resolution of secondary alcohols based on mechanistic insight.","Organic letters","2003","5","1","63","65","10.1021/ol027190y","","","0.71073","MoKα","","0.0781","0.0486","","","0.1128","0.1283","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507310","9.0611","0.0008","9.0611","0.0008","20.066","0.003","90","","90","","90","","1647.5","0.3","173","2","173","2","","","","","","","","5","P 41","P 4w","76","03028A","","","- C17 H16 I N O3 -","- C17 H16 I N O3 -","- C68 H64 I4 N4 O12 -","4","1","","Zhdankin, Viktor V.; Koposov, Alexey Y.; Su, Liansheng; Boyarskikh, Vyacheslav V.; Netzel, Brian C.; Young, Jr, Victor G","Synthesis and structure of amino acid-derived benziodazoles: new hypervalent iodine heterocycles.","Organic letters","2003","5","9","1583","1586","10.1021/ol0344523","","","0.71073","MoKα","","0.0604","0.0474","","","0.0806","0.0841","","","","","","1.106","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507450","12.229","0.007","12.229","0.007","15.675","0.009","90","","90","","90","","2344","2","243","2","293","2","","","","","","","","5","P 41","P 4w","76","","((1R,3Z)-4,4,4-trifluoro-3-{[(2R)-2-(mthoxymethyl)pyrrolidin-1-yl]imino}-1- phenylbutyl)malonic acid dimethyl ester","","- C21 H27 F3 N2 O5 -","- C21 H27 F3 N2 O5 -","- C84 H108 F12 N8 O20 -","4","1","","Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto","Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization","Organic Letters","2002","4","9","1571","","10.1021/ol025792b","","","0.71073","MoKα","","0.0904","0.0546","","","0.1329","0.1543","","","","","","0.893","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507802","14.3257","0.0004","14.3257","0.0004","11.4299","0.0003","90","","90","","90","","2345.71","0.11","100","2","100","2","","","","","","","","4","P 41","P 4w","76","","","","- C25 H37 N O5 -","- C25 H37 N O5 -","- C100 H148 N4 O20 -","4","1","","Cao, Mingming; Zhang, Yu; He, Hongping; Li, Shifei; Huang, Shengdian; Chen, Duozhi; Tang, Guihua; Li, Shunlin; Di, Yingtong; Hao, Xiaojiang","Daphmacromines A-J, Alkaloids from Daphniphyllum macropodum.","Journal of natural products","2012","75","6","1076","1082","10.1021/np200960z","","","1.54178","CuKα","","0.0384","0.0382","","","0.1038","0.104","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508560","10.0493","0.0012","10.0493","0.0012","17.167","0.004","90","","90","","90","","1733.7","0.5","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H22 Cl N O5 -","- C18 H22 Cl N O5 -","- C72 H88 Cl4 N4 O20 -","4","1","","Luo, Zengwei; Wang, Fuqian; Zhang, Jinwen; Li, Xingyao; Zhang, Mengke; Hao, Xincai; Xue, Yongbo; Li, Yan; Horgen, F. David; Yao, Guangmin; Zhang, Yonghui","Cytotoxic alkaloids from the whole plants of zephyranthes Candida.","Journal of natural products","2012","75","12","2113","2120","10.1021/np3005425","","","0.71073","MoKα","","0.117","0.0745","","","0.1339","0.1496","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511272","7.38","","7.38","","9.35","","90","","90","","90","","509.242","","","","","","","","","","","","","3","P 41","P 4w","76","","Tl (B O2)","","- B O2 Tl -","- B O2 Tl -","- B8 O16 Tl8 -","8","2","","Amoussou, D.; Touboul, M.","Structure cristalline de Tl B O2","Revue de Chimie Minerale","1978","15","","223","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511438","10.14","","10.14","","14.17","","90","","90","","90","","1456.95","","","","","","","","","","","","","1","P 41","P 4w","76","","","","- B -","- B0.999368 -","- B189.88 -","190","47.5","","Ploog, K.; Kasper, J.S.; Vlasse, M.; Naslain, R.","The crystal structure of tetragonal boron","Journal of the Less-Common Metals","1979","67","","1","6","10.1016/0022-5088(79)90067-5","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1513399","7.3072","0.001","7.3072","0.001","25.958","0.005","90","","90","","90","","1386","0.4","173","2","173","2","","","","","","","","4","P 41","P 4w","76","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C64 H60 Br4 O8 -","4","1","","Han, Fu-Zhong; Zhu, Fu-Lin; Wang, Ya-Hui; Zou, Yuan; Hu, Xin-Hu; Chen, Song; Hu, Xiang-Ping","Highly enantioselective copper-catalyzed propargylic substitution of propargylic acetates with 1,3-dicarbonyl compounds.","Organic letters","2014","16","2","588","591","10.1021/ol403469m","","","0.71073","MoKα","","0.0306","0.0295","","","0.0697","0.0706","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514427","27.6","0.0018","27.6","0.0018","21.2131","0.0013","90","","90","","90","","16159.3","1.8","200","2","200","2","","","","","","","","8","P 41","P 4w","76","5 in manuscript","","","- C36.25 H47.5 Au Cl F3 N3 O4 S -","- C36.25 H47.5 Au Cl F3 N3 O4 S -","- C580 H760 Au16 Cl16 F48 N48 O64 S16 -","16","4","","Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K.","Gold‒allenylidenes ‒ an experimental and theoretical study","Chemical Science","2013","4","4","1552","","10.1039/c3sc22227f","","","0.71073","MoKα","","0.0874","0.0558","","","0.1305","0.1458","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1518420","9.0756","0.0008","9.0756","0.0008","15.824","0.0014","90","","90","","90","","1303.4","0.2","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Ran, Rui-Qiao; Xiu, Shi-Dong; Li, Chuan-Ying","Synthesis of N-acylamidines via rhodium-catalyzed reaction of nitrosobenzene derivatives with N-sulfonyl-1,2,3-triazoles.","Organic letters","2014","16","24","6394","6396","10.1021/ol5031876","","","0.71073","MoKα","","0.1126","0.0871","","","0.208","0.2281","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519264","8.6514","0.0012","8.6514","0.0012","20.538","0.004","90","","90","","90","","1537.2","0.4","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H14 N4 O2 S2 -","- C14 H14 N4 O2 S2 -","- C56 H56 N16 O8 S8 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L.","2-(4-Amino-benzenesulfonylamino)-3H-thiazol-1-ylium and pyridine solvate","Crystal Structure Report Archive","2000","","","184","","","","","0.71073","MoKα","","0.0353","0.031","","","0.0714","0.0747","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519829","11.4892","0.0001","11.4892","0.0001","16.7646","0.0003","90","","90","","90","","2212.96","0.05","120","2","120","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H24 N5 O2 P3 S2 -","- C18 H24 N5 O2 P3 S2 -","- C72 H96 N20 O8 P12 S8 -","4","1","","Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C18H24N5O2P3S2","Crystal Structure Report Archive","2007","","","312","","","","","0.71073","MoKα","","0.0299","0.0279","","","0.0572","0.0583","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519867","11.4912","0.0001","11.4912","0.0001","16.789","0.0002","90","","90","","90","","2216.95","0.04","120","2","120","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H24 N5 O2 P3 S2 -","- C18 H24 N5 O2 P3 S2 -","- C72 H96 N20 O8 P12 S8 -","4","1","","Shaw, R. A.; Davies, David B.; Kilic, A.; Yesilot, S.; Coles, Simon J.; Hursthouse, Michael B.","C18H24N5O2P3S2","Crystal Structure Report Archive","2007","","","263","","","","","0.71073","MoKα","","0.0193","0.0188","","","0.0491","0.0494","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520074","11.736","0.003","11.736","0.003","16.678","0.005","90","","90","","90","","2297.1","1.1","183","2","183","2","","","","","","","","6","P 41","P 4w","76","wb12feb15_2","5a","","- C19 H41 Fe N O3 P2 -","- C19 H41 Fe N O3 P2 -","- C76 H164 Fe4 N4 O12 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.2182","0.0883","","","0.1222","0.1515","","","","","","1.014","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520586","10.39461","0.00005","10.39461","0.00005","28.7569","0.0002","90","","90","","90","","3107.12","0.03","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C32 H48 Hf N2 O4 -","- C32 H48 Hf N2 O4 -","- C128 H192 Hf4 N8 O16 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","1.54184","CuKα","","0.0539","0.0539","","","0.1366","0.1367","","","","","","1.04","","","","has coordinates","153075","2020-10-21","18:00:00",""
"1521678","10.201","","10.201","","9.996","","90","","90","","90","","1040.19","","","","","","","","","","","","","2","P 41","P 4w","76","","","","- B5 H9 -","- B5 H9 -","- B40 H72 -","8","2","","Nordman, C.E.","The crystal structure of B5 H9 below the 136.7 K phase transition","Journal of Molecular Structure","1999","485","","299","303","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524010","7.055","","7.055","","25.64","","90","","90","","90","","1276.18","","","","","","","","","","","","","3","P 41","P 4w","76","","Sr2 (V2 O7)","","- O7 Sr2 V2 -","- O7 Sr2 V2 -","- O56 Sr16 V16 -","8","2","","Baglio, J.A.; Dann, J.N.","The crystal structure of beta strontium pyrovanadate","Journal of Solid State Chemistry","1972","4","","87","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","144662","2020-10-21","18:00:00",""
"1526078","6.8383","","6.8383","","24.736","","90","","90","","90","","1156.71","","","","","","","","","","","","","3","P 41","P 4w","76","","La2 (Si2 O7)","","- La2 O7 Si2 -","- La2 O7 Si2 -","- La16 O56 Si16 -","8","2","","Mueller-Bunz, H.; Schleid, T.","Ueber den H- und A-Typ von La2 (Si2 O7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2000","626","","2549","2556","","","","","","","","","","","","","","","","","","","","","","has coordinates","147184","2020-10-21","18:00:00",""
"1527622","8.448","","8.448","","14.912","","90","","90","","90","","1064.25","","","","","","","","","","","","","3","P 41","P 4w","76","","Pb Tl3 Cl5","","- Cl5 Pb Tl3 -","- Cl5 Pb Tl3 -","- Cl20 Pb4 Tl12 -","4","1","","Keller, H.L.","Zur Kristallstruktur von Tl3 Pb Cl5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","432","","141","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528083","6.695","","6.695","","24.4","","90","","90","","90","","1093.68","","","","","","","","","","","","","3","P 41","P 4w","76","","Sm2 (Si2 O7)","","- O7 Si2 Sm2 -","- O7 Si2 Sm2 -","- O56 Si16 Sm16 -","8","2","","Smolin, Yu.I.; Shepelev, Yu.F.; Butikova, I.K.","The crystal structure of the low-temperature form of samarium pyrosilicate, Sm2 Si2 O7","Kristallografiya","1970","15","","256","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","149969","2020-10-21","18:00:00",""
"1530141","8.903","","8.903","","15.486","","90","","90","","90","","1227.47","","","","","","","","","","","","","3","P 41","P 4w","76","","Tl3 Pb Br5","","- Br5 Pb Tl3 -","- Br5 Pb Tl3 -","- Br20 Pb4 Tl12 -","4","1","","Keller, H.L.","Darstellung und Kristallstruktur von hoch-Tl3 Pb Br5","Journal of the Less-Common Metals","1981","78","","281","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533732","7.397","","7.397","","28.691","","90","","90","","90","","1569.85","","","","","","","","","","","","","5","P 41","P 4w","76","","K4 Li H3 (S O4)4","","- H3 K4 Li O16 S4 -","- H3 K4 Li O16 S4 -","- H12 K16 Li4 O64 S16 -","4","1","","Haznar, A.; Pietraszko, A.","Temperature behaviour of the protonic conductor K4 Li H3 (S O4)4","Journal of Solid State Chemistry","2004","177","","2150","2157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533809","6.7805","","6.7805","","24.689","","90","","90","","90","","1135.08","","","","","","","","","","","","","11","P 41","P 4w","76","","(Ce0.87 La0.41 Nd0.35 Y0.12 Pr0.09 Sm0.07 Gd0.06 Dy0.01 Ca0.01) (Si2 O7)","","- Ca0.01 Ce0.87 Dy0.01 Gd0.06 La0.41 Nd0.35 O7 Pr0.09 Si2 Sm0.07 Y0.12 -","- Ca0.01 Ce0.87 Dy0.01 Gd0.06 La0.41 Nd0.35 O7 Pr0.09 Si2 Sm0.07 Y0.12 -","- Ca0.08 Ce6.96 Dy0.08 Gd0.48 La3.28 Nd2.8 O56 Pr0.72 Si16 Sm0.56 Y0.96 -","8","2","","Holtstam, D.; Norrestam, R.; Andersson, U.B.","Percleveite-(Ce) - a new lanthanide disilicate mineral from Bastnas, Skinnskatterberg, Sweden","European Journal of Mineralogy (1,1989-)","2003","15","","725","731","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535601","7.818","","7.818","","30.174","","90","","90","","90","","1844.27","","","","","","","","","","","","","5","P 41","P 4w","76","","Rb4 Li H3 (Se O4)4","","- H3 Li O16 Rb4 Se4 -","- H3 Li O16 Rb4 Se4 -","- H12 Li4 O64 Rb16 Se16 -","4","1","","Troyanov, S.I.; Ling, C.D.; Snigireva, E.M.","X-ray and neutron diffraction studies of Rb4 Li H3 (X O4)4 (X = S, Se) single crystals","Kristallografiya","2004","49","","1066","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535604","7.6316","","7.6316","","29.5","","90","","90","","90","","1718.12","","","","","","","","","","","","","5","P 41","P 4w","76","","Rb4 Li H3 (S O4)4","","- H3 Li O16 Rb4 S4 -","- H3 Li O16 Rb4 S4 -","- H12 Li4 O64 Rb16 S16 -","4","1","","Troyanov, S.I.; Snigireva, E.M.; Ling, C.D.","X-ray and neutron diffraction studies of Rb4 Li H3 (X O4)4 (X = S, Se) single crystals","Kristallografiya","2004","49","","1066","1072","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535786","7.007","","7.007","","25.503","","90","","90","","90","","1252.15","","","","","","","","","","","","","4","P 41","P 4w","76","","(Sr1.58 Ca0.42) (V2 O7)","","- Ca0.42 O7 Sr1.58 V2 -","- Ca0.42 O7 Sr1.58 V2 -","- Ca3.36 O56 Sr12.64 V16 -","8","2","","Murashova, E.V.; Velikodnyi, Yu.A.; Ilyukhin, A.B.; Zhuravlev, V.D.","Crystal structures of Sr1.58Ca0.42V2O7 and Sr1.5Cd0.5V2O7 and the features of their isomorphism","Zhurnal Neorganicheskoi Khimii","1993","38","","428","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","163251","2020-10-21","18:00:00",""
"1536922","11.431","","11.431","","6.354","","90","","90","","90","","830.263","","","","","","","","","","","","","4","P 41","P 4w","76","","(V O (H2 O)2) (H P O3) (H2 O)3","","- H11 O9 P V -","- H11 O9 P V -","- H44 O36 P4 V4 -","4","1","","Zakharova, B.S.; Chudinova, N.N.; Ilyukhin, A.B.","Synthesis and crystal structure of vanadyl phosphite (V O (H P O3) (H2 O)2)n .3n(H2 O)","Zhurnal Neorganicheskoi Khimii","1994","39","","1443","1445","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541242","7.2645","","7.2645","","16.26","","90","","90","","90","","858.088","","","","","","","","","","","","","6","P 41","P 4w","76","","(F2 (N H3)4 Co) (Cl O4)","","- Cl Co F2 H12 N4 O4 -","- Cl Co F2 H12 N4 O4 -","- Cl4 Co4 F8 H48 N16 O16 -","4","1","","Mitsutsuka, Yoshihiro; Aoyama, Tomonori; Ohba, Shigeru; Saito, Yoshihiko; Kaneuchi, Fumiko; Tsuboi, Masamichi","Structure and polarized spectra of cis-difluorotetraamminecobalt(III) perchlorate, cis-[CoF~2~(NH~3~)~4~]ClO~4~","Bulletin of the Chemical Society of Japan","1991","64","6","1743","1749","10.1246/bcsj.64.1743","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"1543111","10.1845","0.0018","10.1845","0.0018","14.613","0.003","90","","90","","90","","1515.7","0.5","100","2","100","2","","","","","","","","4","P 41","P 4w","76","Conodusine A","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.","Journal of natural products","2016","79","5","1388","1399","10.1021/acs.jnatprod.6b00129","","","0.71073","MoKα","","0.0696","0.0402","","","0.0651","0.0715","","","","","","0.84","","","","has coordinates","183588","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",""
"1544489","10.2307","0.0001","10.2307","0.0001","20.5352","0.0003","90","","90","","90","","2149.36","0.04","130","","130","","","","","","","","","3","P 41","P 4w","76","","","","- C19 H32 O10 -","- C19 H32 O10 -","- C76 H128 O40 -","4","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0404","0.0393","","","0.1042","0.1054","","","","","","1.049","","","","has coordinates","187851","2020-10-21","18:00:00",""
"1545687","9.4823","0.0006","9.4823","0.0006","24.418","0.002","90","","90","","90","","2195.5","0.3","100","2","100","","","","","","","","","6","P 41","P 4w","76","JLH-3-168","JLH-3-168","","- C23 H20 Br2 N2 Ni O2 -","- C23 H20 Br2 N2 Ni O2 -","- C92 H80 Br8 N8 Ni4 O8 -","4","1","","Suzuki, Naoyuki; Hofstra, Julie L.; Poremba, Kelsey E.; Reisman, Sarah E.","Nickel-Catalyzed Enantioselective Cross-Coupling of N-Hydroxyphthalimide Esters with Vinyl Bromides.","Organic letters","2017","19","8","2150","2153","10.1021/acs.orglett.7b00793","","","0.71073","MoKα","","0.058","0.047","","","0.1114","0.1168","","","","","","1.056","","","","has coordinates","196176","2020-10-21","18:00:00",""
"1547385","13.2861","0.0014","13.2861","0.0014","14.7974","0.0015","90","","90","","90","","2612","0.5","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C32 H25 Au Cl Fe P -","- C32 H25 Au Cl Fe P -","- C128 H100 Au4 Cl4 Fe4 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0302","0.0287","","","0.0788","0.0805","","","","","","0.864","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547995","20.2276","0.0015","20.2276","0.0015","32.016","0.003","90","","90","","90","","13099.5","1.8","100","","100","","","","","","","","","5","P 41","P 4w","76","","","","- C48 H91 Cl12 N12 O4 -","- C48 H84 Cl11.9999 N12 O4 -","- C384 H672 Cl95.9996 N96 O32 -","8","2","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.6889","","","0.0803","0.0751","","","0.1844","0.1911","","","","","","1.105","","","","has coordinates,has disorder","203109","2020-10-21","18:00:00",""
"1548196","25.5619","0.0002","25.5619","0.0002","12.5769","0.0002","90","","90","","90","","8217.88","0.16","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C41.5 H31 F12 N7 P2 Ru -","- C41.5 H31 F12 N7 P2 Ru -","- C332 H248 F96 N56 P16 Ru8 -","8","2","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","0.71073","MoKα","","0.0772","0.0678","","","0.1681","0.1759","","","","","","1.05","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548474","9.5905","0.0002","9.5905","0.0002","19.7424","0.0005","90","","90","","90","","1815.86","0.07","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C21 H25 N O3 -","- C21 H24 N O3 -","- C84 H96 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0304","0.0286","","","0.0715","0.0726","","","","","","1.042","","","","has coordinates","204342","2020-10-21","18:00:00",""
"1550339","12.3462","0.0002","12.3462","0.0002","48.9067","0.0009","90","","90","","90","","7454.8","0.2","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C34 H28 F12 Fe N8 P2 -","- C34 H28 F12 Fe N8 P2 -","- C272 H224 F96 Fe8 N64 P16 -","8","2","","Carey, Monica C.; Adelman, Sara L.; McCusker, James K.","Insights into the excited state dynamics of Fe(ii) polypyridyl complexes from variable-temperature ultrafast spectroscopy","Chemical Science","2019","","","","","10.1039/C8SC04025G","","","1.54178","CuKα","","0.0607","0.0487","","","0.1081","0.1141","","","","","","0.979","","","","has coordinates","212509","2020-10-21","18:00:00",""
"1552702","17.155","0.0003","17.155","0.0003","35.3313","0.0016","90","","90","","90","","10397.8","0.5","293","2","293","2","","","","","","","","3","P 41","P 4w","76","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C480 H512 O96 -","32","8","","Shi, Xiao-Shan; Meng, Ling-Hong; Li, Xiao-Ming; Li, Xin; Wang, Dun-Jia; Li, Hong-Lei; Zhou, Xing-Wang; Wang, Bin-Gui","Trichocadinins B-G: Antimicrobial Cadinane Sesquiterpenes from <i>Trichoderma virens</i> QA-8, an Endophytic Fungus Obtained from the Medicinal Plant <i>Artemisia argyi</i>.","Journal of natural products","2019","82","9","2470","2476","10.1021/acs.jnatprod.9b00139","","","1.54178","CuKα","","0.1391","0.0562","","","0.0896","0.1151","","","","","","1.02","","","","has coordinates","222228","2020-10-21","18:00:00",""
"1553135","15.41418","0.00014","15.41418","0.00014","5.95145","0.0001","90","","90","","90","","1414.05","0.03","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H12 N2 O7 S -","- C11 H12 N2 O7 S -","- C44 H48 N8 O28 S4 -","4","1","","Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong","Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application","Organic Chemistry Frontiers","2015","2","8","890","","10.1039/C5QO00110B","","","1.54178","CuKα","","0.0387","0.0348","","","0.0932","0.095","","","","","","1.052","","","","has coordinates","233627","2020-10-21","18:00:00",""
"1553570","8.4091","0.0001","8.4091","0.0001","29.3175","0.0006","90","","90","","90","","2073.13","0.05","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Xu, Meng-Meng; Wang, Hai-Qing; Wan, Ying; He, Guofeng; Yan, Jingjing; Zhang, Shu; Wang, Shu-Liang; Shi, Feng","Catalytic asymmetric substitution of ortho-hydroxybenzyl alcohols with tetronic acid-derived enamines: enantioselective synthesis of tetronic acid-derived diarylmethanes","Organic Chemistry Frontiers","2017","4","3","358","","10.1039/C6QO00549G","","","1.54178","CuKα","","0.0591","0.0574","","","0.1527","0.155","","","","","","1.047","","","","has coordinates","235149","2020-10-21","18:00:00",""
"1555228","8.8749","0.0007","8.8749","0.0007","20.4808","0.0017","90","","90","","90","","1613.1","0.2","90","2","90","2","","","","","","","","4","P 41","P 4w","76","","","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C48 H104 N8 O24 -","8","2","","Chung, Ryan; Hein, Jason E.","Automated solubility and crystallization analysis of non-UV active compounds: integration of evaporative light scattering detection (ELSD) and robotic sampling","Reaction Chemistry & Engineering","2019","4","9","1674","","10.1039/C9RE00057G","","x-ray","1.54178","CuKα","","0.0308","0.0308","","","0.0834","0.0836","","","","","","1.077","","","","has coordinates","238408","2020-10-21","18:00:00",""
"1557183","11.7728","0.0011","11.7728","0.0011","17.1159","0.0015","90","","90","","90","","2372.2","0.4","173","","173","","","","","","","","","4","P 41","P 4w","76","","","","- C26 H28 N4 O5 -","- C26 H28 N4 O5 -","- C104 H112 N16 O20 -","4","1","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0275","0.0266","","","0.0691","0.0699","","","","","","1.018","","","","has coordinates","247351","2020-10-21","18:00:00",""
"1557305","11.076","0.002","11.076","0.002","16.478","0.003","90","","90","","90","","2021.5","0.6","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","IS4040","Soundararajan, Krishnan; Sethuraman, Velusamy; Thanigaimani, Kaliyaperumal","(3<i>S</i>,5<i>R</i>,6<i>S</i>)-Diphenylmethyl 1-oxo-6-bromopenicillanate","IUCrData","2020","5","2","x200143","","10.1107/S2414314620001431","","","0.71073","MoKα","","0.0828","0.0328","","","0.0685","0.0834","","","","","","0.886","","","","has coordinates,has Fobs","248073","2020-10-21","18:00:00",""
"1557312","8.98338","0.00013","8.98338","0.00013","20.8299","0.0007","90","","90","","90","","1681","0.07","100","2","100","2","","","","","","","","4","P 41","P 4w","76","Sigillin F","","","- C12 H14 Cl6 O5 -","- C12 H14 Cl6 O5 -","- C48 H56 Cl24 O20 -","4","1","","Steinbiss, Michael; Maczka, Michael; Langewald, Juergen; London, Brecht; Vallinayagam, Ramakrishnan; Jones, Peter G.; Bastiaans, Harold; Schulz, Stefan","Sigillins from Springtails Are Potent Natural Insecticides.","Journal of natural products","2020","83","2","468","472","10.1021/acs.jnatprod.9b01013","","","1.54184","CuKα","","0.0247","0.0227","","","0.0509","0.052","","","","","","1.064","","","","has coordinates","248713","2020-10-21","18:00:00",""
"1557705","9.3231","0.0001","9.3231","0.0001","42.7604","0.0006","90","","90","","90","","3716.74","0.08","99.9","0.3","99.9","0.3","","","","","","","","3","P 41","P 4w","76","","","","- C37 H46 O13 -","- C37 H46 O13 -","- C148 H184 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0651","0.0485","","","0.1097","0.1203","","","","","","1.053","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1558052","18.2293","0.0003","18.2293","0.0003","15.6088","0.0007","90","","90","","90","","5186.9","0.3","160","","160","","","","","","","","","3","P 41","P 4w","76","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","1","Synchrotron","","0.1195","0.0571","","","0.1749","0.2036","","","","","","1.067","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1560413","12.2428","0.0004","12.2428","0.0004","15.1663","0.0011","90","","90","","90","","2273.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 Gd N3 O9 Zn -","- C24 H16 Gd N3 O9 Zn -","- C96 H64 Gd4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.0676","0.0502","","","0.1062","0.1155","","","","","","1.02","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560414","12.2203","0.0005","12.2203","0.0005","15.0611","0.001","90","","90","","90","","2249.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 Dy N3 O9 Zn -","- C24 H16 Dy N3 O9 Zn -","- C96 H64 Dy4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.0929","0.071","","","0.1679","0.1868","","","","","","1.03","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560418","12.1961","0.0006","12.1961","0.0006","14.9534","0.0009","90","","90","","90","","2224.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 N3 O9 Yb Zn -","- C24 H16 N3 O9 Yb Zn -","- C96 H64 N12 O36 Yb4 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1116","0.0779","","","0.1819","0.2054","","","","","","1.088","","","","has coordinates","262002","2021-02-16","09:19:55",""
"1560419","12.207","0.0006","12.207","0.0006","15.0352","0.0009","90","","90","","90","","2240.4","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Lu N5 O9 Zn -","- C24 H16 Lu N3 O9 Zn -","- C96 H64 Lu4 N12 O36 Zn4 -","4","1","","Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming","Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties","Journal of Solid State Chemistry","2017","253","","360","366","10.1016/j.jssc.2017.06.020","","","1.54184","CuKα","","0.1238","0.1051","","","0.2588","0.2832","","","","","","1.065","","","","has coordinates","262002","2021-02-16","09:19:56",""
"1564044","10.7327","0.0006","10.7327","0.0006","12.6277","0.001","90","","90","","90","","1454.6","0.16","213","2","213","2","","","","","","","","5","P 41","P 4w","76","","","","- C13 H19 N2 Na O4 -","- C13 H19 N2 Na O4 -","- C52 H76 N8 Na4 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0307","0.0297","","","0.0819","0.0824","","","","","","1.001","","","","has coordinates","267382","2021-07-08","08:26:19",""
"1564045","11.1542","0.0002","11.1542","0.0002","12.5224","0.0003","90","","90","","90","","1557.99","0.05","193","2","193","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín","Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour","Inorganica Chimica Acta","2020","513","","119923","","10.1016/j.ica.2020.119923","","","0.71073","MoKα","","0.0253","0.0251","","","0.0642","0.0644","","","","","","1.06","","","","has coordinates","267382","2021-07-08","08:26:20",""
"1566579","10.0087","0.0002","10.0087","0.0002","12.7456","0.0004","90","","90","","90","","1276.78","0.05","100","2","100","2","","","","","","","","3","P 41","P 4w","76","","","","- C14 H22 O -","- C14 H22 O -","- C56 H88 O4 -","4","1","","Pan, Aaron; Chojnacka, Maja; Crowley, Robert; Göttemann, Lucas; Haines, Brandon E.; Kou, Kevin G. M.","Synergistic Brønsted/Lewis acid catalyzed aromatic alkylation with unactivated tertiary alcohols or di-tert-butylperoxide to synthesize quaternary carbon centers","Chemical Science","2022","","","","","10.1039/D1SC06422C","","","0.71073","MoKα","","0.069","0.0459","","","0.0942","0.1022","","","","","","1.022","","","","has coordinates,has disorder","273536","2022-03-08","23:08:00",""
"1566692","10.5675","0.0008","10.5675","0.0008","13.404","0.002","90","","90","","90","","1496.9","0.3","293","2","293","2","","","","","","","","5","P 41","P 4w","76","BODIPY-DCH","10-((2-aminocyclohexyl)iminio)-5,5-difluoro-5H,10H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-5-uide","","- C15 H19 B F2 N4 -","- C15 H19.0001 B F2 N4 -","- C60 H76.0004 B4 F8 N16 -","4","1","","Zeng, Lintao; Chen, Tianhong; Zhu, Beitong; Koo, Seyoung; Tang, Yonghe; Lin, Weiying; James, Tony D.; Kim, Jong Seung","A molecular recognition platform for the simultaneous sensing of diverse chemical weapons","Chemical Science","2022","","","","","10.1039/D2SC00299J","","x-ray","0.71073","MoKα","","0.0936","0.045","","","0.0832","0.1069","","","","","","1.009","","","","has coordinates","273938","2022-03-23","23:11:50",""
"1568585","13.2253","0.0004","13.2253","0.0004","40.325","0.0019","90","","90","","90","","7053.2","0.4","296","2","296","2","","","","","","","","7","P 41","P 4w","76","","","","- C69 H61 Cl9 Cu N3 O3 P2 -","- C69 H61 Cl9 Cu N3 O3 P2 -","- C276 H244 Cl36 Cu4 N12 O12 P8 -","4","1","","Viana, Maria S.; Gomes, Clara S. B.; Rosa, Vitor","Heteroleptic Copper Complexes as Catalysts for the CuAAC Reaction: Counter-Ion Influence in Catalyst Efficiency","Catalysts","2023","13","2","386","","10.3390/catal13020386","","x-ray","0.71073","MoKα","","0.0778","0.0611","","","0.1616","0.17","","","","","","0.997","","","","has coordinates","281625","2023-03-05","01:56:17",""
"2000623","10.646","0.001","10.646","0.001","5.752","0.002","90","","90","","90","","651.9","0.2","","","","","","","","","","","","4","P 41","P 41","","","","","- C3 H5 N3 O5 -","- C3 H5 N3 O5 -","- C12 H20 N12 O20 -","4","1","HH0586","Gilardi, R.; George, C.; Flippen-Anderson, J. L.","Structure of 3-nitrato-1-nitroazetidine","Acta Crystallographica Section C","1992","48","9","1679","1680","10.1107/S0108270192000696","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001132","6.6858","0.0008","6.6858","0.0008","24.147","0.003","90","","90","","90","","1079.4","0.4","294","","","","","","","","","","","3","P 41","P 4w","76","","","","- Ca2 O7 P2 -","- Ca2 O7 P2 -","- Ca16 O56 P16 -","8","2","DU1046","Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B.","Redetermination of the β-Ca~2~P~2~O~7~ structure","Acta Crystallographica Section C","1993","49","12","2062","2064","10.1107/S0108270193005608","","","0.71073","MoKᾱ","","","0.031","","","0.034","","","","","1.001","1.001","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2001279","8.4561","0.0006","8.4561","0.0006","20.82","0.003","90","","90","","90","","1488.7","0.3","","","","","","","","","","","","4","P 41","P 41","","","","","- C15 H23 N2 O2 -","- C15 H23 N2 O2 -","- C60 H92 N8 O8 -","4","1","HA1044","Olszak, T. A.; Grabowski, M. J.; Gwoździński, K.","Piperidine nitroxide radicals with heterocyclic ring substituents. I. Structure of 4-hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl)piperidine 1-oxide","Acta Crystallographica Section C","1993","49","10","1722","1723","10.1107/S0108270193005463","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003718","10.136","0.006","10.136","0.006","25.026","0.012","90","","90","","90","","2571","2","293","","293","","","","","","","","from chemical synthesis","5","P 41","P 4w","76","","3-ethylsulfuryl-4-furan-2-yl-methyl-6-methoxy-2- (2,2,2',2'-tetramethyl-[4,4']bi[[1,3] dioxolanyl]-5-yl) -1-aza-bicyclo[3.2.0] heptane-7-one","","- C24 H35 N O7 S -","- C26 H40 N O7 S -","- C104 H160 N4 O28 S4 -","4","1","PA1154","Chiaroni, A.; Riche, C.; Adonias, M.; Anaya, J.; Géro, S. D.; Tachdjian, C.","Two Methyl-Substituted Carbapenem Antibiotic Precursors","Acta Crystallographica Section C","1995","51","7","1306","1310","10.1107/S0108270194014423","","","1.5418","CuKα","","","0.048","","","0.052","","","","","0.61","0.61","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004154","8.535","0.002","8.535","0.002","17.339","0.006","90","","90","","90","","1263.1","0.6","138","","","","","","","","","","","3","P 41","P 4w","76","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","KH1035","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Tyler, P. C.","1,6-Anhydro-4-<i>O</i>-benzyl-3-deoxy-2-<i>O</i>-methyl-β-<small>D</small>-<i>ribo</i>-hexopyranose and 1,6-Anhydro-4-<i>O</i>-benzyl-2-<i>C</i>-(2-cyanoethyl)-2,3-dideoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose","Acta Crystallographica Section C","1995","51","11","2418","2421","10.1107/S0108270195007256","","","0.71073","MoKα","","","0.036","","","0.043","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005181","10.903","0.001","10.903","0.001","14.813","0.002","90","","90","","90","","1760.9","0.3","173","1","173","1","","","","","","","","3","P 41","P 4w","76","","1,2:5,6-di-O-isopropylidene-3-C-ethoxycarbonylmethyl-α-D-allofuranose","","- C16 H26 O7 -","- C16 H26 O7 -","- C64 H104 O28 -","4","1","SX1012","Linden, A.; Lee, C. K.; Siew, K. F.","3-Deoxy-3-<i>C</i>-ethoxycarbonylmethyl-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose at 173K","Acta Crystallographica Section C","1996","52","7","1797","1799","10.1107/S0108270196001151","","","0.71069","MoKα","","0.0655","0.0418","","0.0377","0.0353","","","","","1.733","1.733","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005974","7.908","0.001","7.908","0.001","15.15","0.002","90","","90","","90","","947.4","0.2","296","2","296","2","","","","","","","","3","P 41","P 4w","76","(-)-anti-Isoketopinic acid","(-)-2-oxo-1,7-dimethylbicyclo[2.2.1]heptane-7-anti-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","BK1292","Lalancette, R. A.; Coté, M. L.; Thompson, H. W.","Hydrogen-Bonding Pattern of a Bicyclic γ-Keto Acid: ({-})-<i>anti</i>-Isoketopinic Acid","Acta Crystallographica Section C","1997","53","3","370","372","10.1107/S0108270196013959","","","0.71073","MoKα","","0.0718","0.051","","0.122","0.1137","","","","0.94","1.047","1.047","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006665","10.158","0.0002","10.158","0.0002","39.7543","0.0005","90","","90","","90","","4102.05","0.13","180","","180","","","","","","","","","6","P 41","P 4w","76","","","","- C48 H44 B F4 P2 Rh -","- C48 H44 B F4 P2 Rh -","- C192 H176 B4 F16 P8 Rh4 -","4","1","FG1294","Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James","[(1,2,5,6-η)-1,5-Cyclooctadiene][(11<i>R</i>,12<i>R</i>)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-<i>P</i>)]rhodium(I) Tetrafluoroborate","Acta Crystallographica Section C","1997","53","11","1577","1579","10.1107/S0108270197005271","","","0.7107","MoKα","","0.08","0.043","","0.086","","0.086","","","2.51","","","2.51","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007070","13.154","0.007","13.154","0.007","11.869","0.008","90","","90","","90","","2054","2","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","[N-(1'-Phenylethyl)-2-azabicyclo[4,3,0]-6-allyl-8,8-dimethyl-3-oxonon -5-yl]-carboxylic acid","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","CF1188","Chiaroni, Angèle; Riche, Claude; Dumas Franc̨oise; Mauduit, Marc; Miet, Christine","6-Allyl-8,8-dimethyl-3-oxo-2-(1-phenylethyl)-2-azabicyclo[4.3.0]non-1(9)-ene-5-carboxylic Acid, a Key Compound in the Asymmetric Synthesis of Quadrone","Acta Crystallographica Section C","1998","54","3","401","403","10.1107/S0108270197015448","","","0.7107","MoKα","","0.04","0.031","","0.095","0.073","","","","1.083","1.095","1.095","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008103","12.3698","0.0005","12.3698","0.0005","49.306","0.003","90","","90","","90","","7544.4","0.6","100","2","100","2","","","","","","","","6","P 41","P 4w","76","Ru-bis(terpyridine)(PF~6~)~2~","Bis(2,2',6':2''-terpyridine)Ru(II)(PF~6~)~2~ acetonitrile solvate","","- C34 H28 F12 N8 P2 Ru -","- C34 H28 F12 N8 P2 Ru -","- C272 H224 F96 N64 P16 Ru8 -","8","2","OS1037","Kianosh Lashgari; Mikael Kritikos; Rolf Norrestam; Thomas Norrby","Bis(terpyridine)ruthenium(II) bis(hexafluorophosphate) diacetonitrile solvate","Acta Crystallographica Section C","1999","55","1","64","67","10.1107/S0108270198011378","","","0.71073","MoKα","","0.0579","0.0543","","","","0.1481","","","","","","1.064","","","","has coordinates,has disorder","191016","2020-10-21","18:00:00",""
"2008346","9.975","0.002","9.975","0.002","10.418","0.002","90","","90","","90","","1036.6","0.4","293","2","293","2","","","","","","","","5","P 41","P 4w","76","FF-arabino-uridine","1-(2'-fluoro-2'-deoxy-β-D-arabinofuranosyl) -5-fluoro-2,4(1H,3H)-pyrimidinedione","","- C9 H10 F2 N2 O5 -","- C9 H10 F2 N2 O5 -","- C36 H40 F8 N8 O20 -","4","1","FG1521","Hempel, Andrew; Camerman, Norman; Grierson, John; Mastropaolo, Donald; Camerman, Arthur","FF-β-<small>D</small>-Arabinofuranosyluracil","Acta Crystallographica Section C","1999","55","4","632","633","10.1107/S0108270198015455","","","1.54178","CuKα","","0.029","0.0284","","","","0.0917","","","","","","0.865","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2011262","8.8863","0.0019","8.8863","0.0019","21.299","0.006","90","","90","","90","","1681.9","0.7","168","2","168","2","","","","","","","","6","P 41","P 4w","76","","(+)-(2R,3S)-3-Bromo-2-chloro-N,N-diisopropyl-3-phenylpropanamide","","- C15 H21 Br Cl N O -","- C15 H21 Br Cl N O -","- C60 H84 Br4 Cl4 N4 O4 -","4","1","QA0345","Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui","(+)-(2<i>R</i>,3<i>S</i>)-3-Bromo-2-chloro-<i>N</i>,<i>N</i>-diisopropyl-3-phenylpropanamide and (+)-(2<i>R</i>,3<i>S</i>)-3-bromo-2-chloro-<i>N</i>-(4-nitrophenyl)-3-phenylpropanamide","Acta Crystallographica Section C","2000","56","8","e354","e355","10.1107/S0108270100009161","","","0.71073","MoKα","","0.071","0.053","","","","0.133","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011282","16.2515","0.0016","16.2515","0.0016","13.7964","0.0019","90","","90","","90","","3643.8","0.7","173","1","173","1","","","","","","","","5","P 41","P 4w","76","","(M)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl- 8,9-dihydro-7H-dinaphth[2,1-c:1',2'-e]azepinium bromide acetone (1/3) solvate","","- C41 H48 Br N O4 -","- C41 H48 Br N O4 -","- C164 H192 Br4 N4 O16 -","4","1","SK1391","Schneider, Monica; Linden, Anthony; Rippert, Andreas, J.","(<i>M</i>)- and (<i>P</i>)-8-[(1<i>S</i>,2<i>R</i>)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7<i>H</i>-dinaphth[2,1-<i>c</i>:1',2'-<i>e</i>]azepinium bromide solvates","Acta Crystallographica Section C","2000","56","8","1004","1006","10.1107/S0108270100006739","","","0.71069","MoKα","","0.197","0.065","","","","0.169","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011464","16.128","0.002","16.128","0.002","5.195","0.001","90","","90","","90","","1351.3","0.4","295","2","295","2","","","","","","","","4","P 41","P 4w","76","Tryptophan-glycine monohydrate","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C52 H68 N12 O16 -","4","1","QD0019","Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis","Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate","Acta Crystallographica Section C","2000","56","10","e469","e471","10.1107/S0108270100011926","","","1.5418","CuKα","","0.117","0.061","","","","0.147","","","","","","1.005","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2012724","13.2963","0.0002","13.2963","0.0002","20.6366","0.0005","90","","90","","90","","3648.38","0.12","150","1","150","1","","","","","","","","5","P 41","P 4w","76","","bis{μ-2,2'-[hexane-1,6-diylbis(nitrilomethylidyne)]diphenolato- 1:2κ^4^O,N:N',O'}dicopper(II)","","- C40 H44 Cu2 N4 O4 -","- C40 H44 Cu2 N4 O4 -","- C160 H176 Cu8 N16 O16 -","4","1","SK1547","Friščić, Tomislav; Lough, Alan J.; Ferguson, George; Kaitner, Branko","Enantiomeric bis(μ-<i>N</i>,<i>N</i>'-hexamethylenedisalicylaldiminato)dicopper(II) complexes","Acta Crystallographica Section C","2002","58","5","m313","m315","10.1107/S0108270102006297","","","0.71073","MoKα","","0.084","0.046","","","0.094","0.108","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014393","9.4416","0.0009","9.4416","0.0009","20.213","0.004","90","","90","","90","","1801.9","0.4","293","2","293","2","","","","","","","","5","P 41","P 4w","76","glycine trichloroacetate","Glycinium trichloroacetate","","- C4 H6 Cl3 N O4 -","- C4 H6 Cl3 N O4 -","- C32 H48 Cl24 N8 O32 -","8","2","SK1890","Rodrigues, V. H.; Matos Beja, A.; Paixão, J. A.; Costa, M. M. R. R.","Glycinium trichloroacetate","Acta Crystallographica Section C","2006","62","2","o71","o72","10.1107/S0108270105040953","","","0.71073","MoKα","","0.0899","0.0451","","","0.1247","0.1454","","","","","","1.087","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016123","7.1807","0.0006","7.1807","0.0006","36.171","0.003","90","","90","","90","","1865.1","0.3","295","2","295","2","","","","","","","","5","P 41","P 4w","76","","1,10-phenanthrolin-1-ium 4-carboxybenzenesulfonate dihydrate","","- C19 H18 N2 O7 S -","- C19 H18 N2 O7 S -","- C76 H72 N8 O28 S4 -","4","1","SQ3086","Zhang, Jing; Zhu, Long-Guan","Different supramolecular assemblies in two 1:1 proton-transfer compounds of sulfobenzoic acids with aromatic amines","Acta Crystallographica Section C","2007","63","8","o484","o486","10.1107/S0108270107033008","","","0.71073","MoKα","","0.0392","0.0358","","","0.0952","0.0992","","","","","","0.802","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016285","9.3091","0.0003","9.3091","0.0003","10.9744","0.0004","90","","90","","90","","951.03","0.06","293","2","","","","","","","","","","5","P 41","P 4w","76","","Potassium indium niobium oxide phosphate","","- In0.459 K0.917 Nb0.541 O5 P -","- In0.45835 K0.9165 Nb0.54165 O5 P -","- In3.6668 K7.332 Nb4.3332 O40 P8 -","8","2","SQ3098","Artem A. Babaryk; Igor V. Zatovsky; Vyacheslav N. Baumer; Nikolay S. Slobodyanik; Domasevitch, Konstantin V.","The complex phosphate K~0.92~In~0.46~Nb~0.54~OPO~4~: a new representative of the KTiOPO~4~ family","Acta Crystallographica Section C","2007","63","11","i105","i108","10.1107/S0108270107047129","","","0.71073","MoKα","","","0.0199","","","","0.0528","","","","","","1.062","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2016470","8.2616","0.0018","8.2616","0.0018","17.517","0.004","90","","90","","90","","1195.6","0.5","170","2","170","2","","","","","","","","4","P 41","P 4w","76","","5-Hydroxymethyl-7,7,N-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","TR3030","Foces-Foces, C.; López-Rodríguez, M.; Pérez, C.","A case of concomitant polymorphism and spontaneous resolution: the tetragonal phase of 5-hydroxymethyl-7,7,<i>N</i>-trimethyl-6-oxabicyclo[3.2.1]octane-1-carboxamide","Acta Crystallographica Section C","2008","64","2","o95","o97","10.1107/S010827010706862X","","","0.71073","MoKα","","0.0576","0.0504","","","0.1374","0.1423","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2020422","10.281404","0.000012","10.281404","0.000012","26.15892","0.00006","90","","90","","90","","2765.19","0.008","293","2","293","2","","","","","","","","4","P 41","P 4w","76","Theophylline:Benzamid 1:1","Theophylline‒Benzamide (1/1)","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C112 H120 N40 O24 -","8","2","CU3095","Fischer, Franziska; Schmidt, Martin U.; Greiser, Sebastian; Emmerling, Franziska","The challenging case of the theophylline‒benzamide cocrystal","Acta Crystallographica Section C","2016","72","3","217","224","10.1107/S2053229616002643","powder diffraction","","1.0004","Synchrotron","","1.86","","","","","","","","1.1781","","","","","","","has coordinates,has Fobs","181467","2020-10-21","18:00:00",""
"2100298","11.425","0.002","11.425","0.002","27.248","0.005","90","","90","","90","","3556.7","1.1","294","2","294","2","","","","","","","","5","P 41","P 4w","76","","diaqua(15-crown-5)cobalt(II) nitrate","","- C10 H24 Co N2 O13 -","- C10 H24 Co N2 O13 -","- C80 H192 Co8 N16 O104 -","8","2","BM5026","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures","Acta Crystallographica Section B","2005","61","6","675","688","10.1107/S0108768105026662","","","0.71073","MoKα","","0.103","0.0459","","","0.0812","0.0959","","","","","","0.942","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100299","11.306","0.002","11.306","0.002","27.041","0.005","90","","90","","90","","3456.5","1.1","90","2","90","2","","","","","","","","5","P 41","P 4w","76","","diaqua(15-crown-5)cobalt(II) nitrate","","- C10 H24 Co N2 O13 -","- C10 H24 Co N2 O13 -","- C80 H192 Co8 N16 O104 -","8","2","BM5026","Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt","Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures","Acta Crystallographica Section B","2005","61","6","675","688","10.1107/S0108768105026662","","","0.71073","MoKα","","0.0961","0.0479","","","0.0651","0.0752","","","","","","0.975","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100522","15.41038","0.00019","15.41038","0.00019","19.68","0.0003","90","","90","","90","","4673.6","0.11","10","","10","","","","","","","","","4","P 41","P 4w","76","N-oxipicoline","4-methylpyridine-N-oxide","","- C6 D7 N O -","- C6 D7 N O -","- C192 D224 N32 O32 -","32","8","AV5052","Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F.","Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature","Acta Crystallographica Section B","2006","62","4","627","633","10.1107/S0108768106011608","","neutron","1.2253","ConstantWavelengthNeutronDiffraction","","","","","","","","","","2.35","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102240","11.3877","0.0004","11.3877","0.0004","15.9829","0.0006","90","","90","","90","","2072.66","0.13","293","2","","","","","","","","","","5","P 41","P 4w","76","","N,N'-ditiooxalyl-bis(L-leucine methyl ester)","","- C16 H28 N2 O4 S2 -","- C16 H28 N2 O4 S2 -","- C64 H112 N8 O16 S8 -","4","1","SN0036","Kojić-Prodić, Biserka; Perić, Berislav; Zoran Štefanić; Anton Meden; Makarević, Janja; Jokić, Milan; Žinić, Mladen","Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-monothiooxalyldileucine methyl ester and its dithio analogue","Acta Crystallographica Section B","2004","60","1","90","96","10.1107/S0108768103029173","","","0.71069","MoKα","","","0.0381","","","","0.1115","","","","","","1.098","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103329","9.848","0.003","9.864","0.003","8.166","0.002","90","","90","","90","","793.3","0.4","95","2","95","2","","","","","","","","3","P 41","P 4w","76","","4-Isopropyl-phenol","","- C9 H12 O -","- C9 H12 O -","- C36 H48 O4 -","4","1","NS0008","Wójcik, Grażyna; Holband, Jolanta","Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results","Acta Crystallographica Section B","2002","58","4","684","689","10.1107/S0108768102004573","","","0.71073","MoKα","","0.0632","0.0598","","","0.1461","0.1497","","","","","","1.094","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103330","9.859","0.002","9.865","0.002","8.221","0.001","90","","90","","90","","799.6","0.2","180","2","293","2","","","","","","","","3","P 41","P 4w","76","","4-Isopropyl-phenol","","- C9 H12 O -","- C9 H12 O -","- C36 H48 O4 -","4","1","NS0008","Wójcik, Grażyna; Holband, Jolanta","Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results","Acta Crystallographica Section B","2002","58","4","684","689","10.1107/S0108768102004573","","","0.71073","MoKα","","0.0674","0.0593","","","0.1562","0.1684","","","","","","1.199","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103331","9.928","0.001","9.934","0.001","8.316","0.001","90","","90","","90","","820.16","0.15","293","2","293","2","","","","","","","","3","P 41","P 4w","76","","4-Isopropyl-phenol","","- C9 H12 O -","- C9 H12 O -","- C36 H48 O4 -","4","1","NS0008","Wójcik, Grażyna; Holband, Jolanta","Variable-temperature studies of the 4-isopropylphenol crystal structure from X-ray diffraction. Comparison of thermal expansion and molecular dynamics with spectroscopic results","Acta Crystallographica Section B","2002","58","4","684","689","10.1107/S0108768102004573","","","0.71073","MoKα","","0.0838","0.0603","","","0.1655","0.1844","","","","","","1.104","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104368","11.4912","0.0001","11.4912","0.0001","16.789","0.0002","90","","90","","90","","2216.95","0.04","120","2","120","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H24 N5 O2 P3 S2 -","- C18 H24 N5 O2 P3 S2 -","- C72 H96 N20 O8 P12 S8 -","4","1","RY5024","Coles, Simon; Davies, David; Hursthouse, Michael; Yeşilot, Serkan; Çoşut, Bünyemin; Kılıç, Adem","Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes <i>via</i> chiral high-performance liquid chromatography","Acta Crystallographica Section B","2009","65","3","355","362","10.1107/S0108768109006120","","","0.71073","MoKα","","0.0193","0.0188","","","0.0491","0.0494","","","","","","1.039","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2200282","11.698","0.002","11.698","0.002","19.643","0.015","90","","90","","90","","2688","2","293","","","","","","","","","","","4","P 41","P 4w","76","Methyl 1-{N-[N-(benzyloxycarbonyl)-α-aminoisobutyryl]-α-aminoisobutyryl}- 4-hydroxypyrrolidine-2-carboxylate ethanol solvate","","","- C24 H37 N3 O8 -","- C24 H37 N3 O8 -","- C96 H148 N12 O32 -","4","1","CF6053","Geßmann, Renate; Brückner, Hans; Kokkinidis, Michael","Tripeptide Z‒Aib‒Aib‒Hyp‒OMe","Acta Crystallographica Section E","2001","57","6","o492","o494","10.1107/S1600536801007371","","","1.54178","CuKα","","0.0985","0.0777","","","","0.211","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2202695","9.1926","0.0008","9.1926","0.0008","22.724","0.002","90","","90","","90","","1920.3","0.3","297","","","","","","","","","","","5","P 41","P 4w","76","","","","- C14 H20 Cl3 N O6 -","- C14 H20 Cl3 N O6 -","- C56 H80 Cl12 N4 O24 -","4","1","LH6093","Ohba, Shigeru; Sato, Hideyuki; Iida, Masatoshi; Chida, Noritaka","(+)-Methyl (4<i>R</i>,5<i>S</i>)-4-[(<i>R</i>)-1-hydroxybut-3-enyl]-5-2,2-dimethyl-trichloroacetamido-1,3-dioxane-5-carboxylate","Acta Crystallographica Section E","2003","59","9","o1259","o1260","10.1107/S160053680301691X","","","0.7107","MoKα","","","0.0557","","","","0.1708","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204482","7.7618","0.0012","7.7618","0.0012","24.35","0.0017","90","","90","","90","","1467","0.3","295","2","295","2","","","","","","","","4","P 41","P 4w","76","","3,4-Dimethoxybenzaldehyde 4-nitrophenylhydrazone","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C60 H60 N12 O16 -","4","1","CV6396","Shang Shan; Wei-Xiao Hu; Duan-Jun Xu","3,4-Dimethoxybenzaldehyde 4-nitrophenylhydrazone","Acta Crystallographica Section E","2004","60","11","o2059","o2061","10.1107/S1600536804026145","","","0.71073","MoKα","","0.054","0.041","","","0.082","0.087","","","","","","1.131","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205827","6.7964","0.0003","6.7964","0.0003","24.7282","0.0014","90","","90","","90","","1142.22","0.1","153","2","153","2","","","","","","","","3","P 41","P 4w","76","Cerium disilicate","Dicerium disilicate","","- Ce4 O14 Si4 -","- Ce4 O14 Si4 -","- Ce16 O56 Si16 -","4","1","WM6067","Bin Deng; James A. Ibers","Dicerium disilicate, Ce~2~[Si~2~O~7~]","Acta Crystallographica Section E","2005","61","5","i76","i78","10.1107/S1600536805011049","","","0.71073","MoKα","","0.0258","0.0243","","","0.0548","0.0554","","","","","","1.153","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206287","12.3616","0.0012","12.3616","0.0012","11.1685","0.0011","90","","90","","90","","1706.6","0.3","173","1","173","1","","","","","","","","4","P 41","P 4w","76","","(2S,3R,4R,5R)-2-(tert-Butyldimethylsilyloxymethyl)-2,4,5- trimethyltetrahydrofuran-3,4-diol","","- C14 H30 O4 Si -","- C14 H30 O4 Si -","- C56 H120 O16 Si4 -","4","1","SJ6091","Fan, Hong-Tao; Schürmann, Markus; Preut, Hans; Krause, Norbert","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-2-(<i>tert</i>-Butyldimethylsilyloxymethyl)-2,4,5-trimethyltetrahydrofuran-3,4-diol","Acta Crystallographica Section E","2005","61","7","o1987","o1988","10.1107/S1600536805016831","","","0.71073","MoKα","","0.0839","0.0671","","","0.1781","0.1816","","","","","","1.146","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208534","9.7681","0.0014","9.7681","0.0014","19.632","0.004","90","","90","","90","","1873.2","0.5","292","2","292","2","","","","","","","","5","P 41","P 4w","76","","dimethylammonium diaquabis(pyridine-2,6-dicarboxylato-κ^3^O^2^,N,O^6^)indium(III)","","- C16 H18 In N3 O10 -","- C16 H18 In N3 O10 -","- C64 H72 In4 N12 O40 -","4","1","BV2005","Rong-Chang Zhang; Chun-Hui Yu","An indium(III) complex with pyridine-2,6-dicarboxylate","Acta Crystallographica Section E","2006","62","4","m807","m809","10.1107/S1600536806009196","","","0.71073","MoKα","","0.0315","0.0235","","","0.0381","0.039","","","","","","0.911","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208557","7.294","0.001","7.294","0.001","33.549","0.003","90","","90","","90","","1784.9","0.4","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H19 Cu N5 S2 -","- C14 H19 Cu N5 S2 -","- C56 H76 Cu4 N20 S8 -","4","1","CI2024","You, Zhong-Lu; Wang, Jia; Han, Xiao","[<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-(2-pyridylmethylene)ethane-1,2-diamine]dithiocyanatocopper(II)","Acta Crystallographica Section E","2006","62","4","m860","m861","10.1107/S1600536806010506","","","0.71073","MoKα","","0.0687","0.0436","","","0.0989","0.1084","","","","","","0.966","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209459","8.67","0.002","8.67","0.002","20.927","0.01","90","","90","","90","","1573.1","0.9","295","2","295","2","","","","","","","","5","P 41","P 4w","76","sulfathiazole adduct with pyridine, tetragonal form","sulfathiazole‒pyridine (1/1)","","- C14 H14 N4 O2 S2 -","- C14 H14 N4 O2 S2 -","- C56 H56 N16 O8 S8 -","4","1","CV2061","Tatiana N. Drebushchak; Mikhail A. Mikhailenko; Elena V. Boldyreva; Tatyana P. Shakhtshneider","Tetragonal polymorph of the 1:1 adduct of sulfathiazole with pyridine","Acta Crystallographica Section E","2006","62","7","o2669","o2671","10.1107/S1600536806020101","","","0.71073","MoKα","","0.1216","0.064","","","0.1012","0.1322","","","","","","1.166","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209551","11.909","0.004","11.909","0.004","18.083","0.004","90","","90","","90","","2564.6","1.3","298","1","","","","","","","","","","3","P 41","P 4w","76","","","","- C28 H42 O2 -","- C28 H42 O2 -","- C112 H168 O8 -","4","1","HK2061","Jin-Long Wu","(a<i>R</i>,1<i>R</i>,2<i>S</i>,5<i>R</i>)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (4-<i>tert</i>-butylcyclohexylidene)acetate","Acta Crystallographica Section E","2006","62","7","o2967","o2968","10.1107/S1600536806022896","","","0.71075","MoKα","","","0.0327","","","","0.061","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2211281","14.1908","0.0016","14.1908","0.0016","13.76","0.003","90","","90","","90","","2771","0.7","292","2","292","2","","","","","","","","5","P 41","P 4w","76","","Ethyl {4-[5-(3-methylphenyl)-3-methylsulfanyl-4-oxo-1- phenylpyrazolo[3,4-d]pyrimidin-6-yloxy]phenoxy}acetate","","- C29 H26 N4 O5 S -","- C29 H26 N4 O5 S -","- C116 H104 N16 O20 S4 -","4","1","BH2058","Liu, Hui; Wang, Hong-Qing; Liu, Zhao-Jie","Ethyl {4-[5-(3-methylphenyl)-3-methylsulfanyl-4-oxo-1-phenylpyrazolo[3,4-<i>d</i>]pyrimidin-6-yloxy]phenoxy}acetate","Acta Crystallographica Section E","2006","62","12","o5459","o5461","10.1107/S1600536806046083","","","0.71073","MoKα","","0.1101","0.0628","","","0.1592","0.1851","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","201974","2020-10-21","18:00:00",""
"2212368","14.1641","0.0004","14.1641","0.0004","9.2045","0.0003","90","","90","","90","","1846.62","0.1","150","","150","","","","","","","","","3","P 41","P 4w","76","","3,3':5,6-di-O-isopropylidene-3-C-hydroxymethyl-D-allono-1,4-lactone","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","SJ2196","Michela Simone; George W. J. Fleet; David J. Watkin","3,3':5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-hydroxymethyl-<small>D</small>-<i>allono</i>-1,4-lactone: an organic structure containing large unoccupied voids","Acta Crystallographica Section E","2007","63","2","o799","o801","10.1107/S1600536807002061","","","0.71073","MoKα","","0.0583","0.0461","","0.049","0.0443","0.0443","","","","","","1.0379","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213796","19.866","0.002","19.866","0.002","17.497","0.002","90","","90","","90","","6905.3","1.3","293","2","293","2","","","","","","","","8","P 41","P 4w","76","","Dichlorido- <i>cis</i>-bis[{(<i>S</i>)-(3,5-dioxa-4-phosphacyclohepta[2,1-a;3,4 -a']dinaphthalen-4-yl)dibenz[b,f]azepin}-\κ<i>P</i>]palladium(II) deuterochloroform disolvate","","- C70 H44 Cl8 D2 N2 O4 P2 Pd -","- C70 H46 Cl8 N2 O4 P2 Pd -","- C280 H184 Cl32 N8 O16 P8 Pd4 -","4","1","HB2403","Alexander Briceño; Romano Dorta","<i>cis</i>-Dichloridobis{[(<i>S</i>)-<i>N</i>-(3,5-dioxa-4-phosphacyclohepta[2,1-<i>a</i>;3,4-<i>a</i>']dinaphthalen-4-yl]dibenz[<i>b</i>,<i>f</i>]azepin-κ<i>P</i>}palladium(II) deuterochloroform disolvate","Acta Crystallographica Section E","2007","63","6","m1718","m1719","10.1107/S1600536807023173","","","0.7107","MoKα","","0.128","0.0738","","","0.1922","0.248","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214084","8.7954","0.0001","8.7954","0.0001","30.0676","0.001","90","","90","","90","","2326","0.09","120","","120","","","","","","","","","3","P 41","P 4w","76","15-crown-5","1,4,7,10,13-pentaoxacylopentadecane","","- C10 H20 O5 -","- C10 H20 O5 -","- C80 H160 O40 -","8","2","BT2383","Simon Parsons","15-Crown-5","Acta Crystallographica Section E","2007","63","7","o3130","o3130","10.1107/S1600536807026190","","","0.71073","MoKα","","0.0553","0.0428","","0.0843","0.0802","0.0843","","","","","","0.95","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214628","12.9555","0.0018","12.9555","0.0018","15.029","0.003","90","","90","","90","","2522.5","0.7","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","gem-2,2-Diamino-4,4,6,6-tetraphenoxy-1,3,5-2λ^5^-cyclotriazaphosphorine","","- C24 H24 N5 O4 P3 -","- C24 H24 N5 O4 P3 -","- C96 H96 N20 O16 P12 -","4","1","DN3046","Lenka Dastychová; Zdirad Žák; Milan Alberti; Jan Taraba","<i>gem</i>-2,2-Diamino-4,4,6,6-tetraphenoxy-1,3,5-cyclotriaza-λ^5^-phosphorine","Acta Crystallographica Section E","2007","63","8","o3500","o3500","10.1107/S1600536807033399","","","0.71073","MoKα","","0.0259","0.0247","","","0.0577","0.0583","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218218","6.655","0.003","6.655","0.003","18.145","0.009","90","","90","","90","","803.6","0.6","100","2","100","2","","","","","","","","5","P 41","P 4w","76","(R)-(-)-3-hydroxyquinuclidinium chloride","(<i>R</i>)-(-)-3-Hydroxyquinuclidinium chloride","","- C7 H14 Cl N O -","- C7 H14 Cl N O -","- C28 H56 Cl4 N4 O4 -","4","1","PK2091","Siczek, Miłosz; Lis, Tadeusz","(<i>R</i>)-({-})-3-Hydroxyquinuclidinium chloride","Acta Crystallographica Section E","2008","64","5","o842","","10.1107/S1600536808009185","","","0.71073","MoKα","","0.028","0.026","","","0.062","0.063","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218674","9.824","0.003","9.824","0.003","26.12","0.003","90","","90","","90","","2520.9","1.1","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","Dibromidobis(4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone)zinc(II)","","- C22 H24 Br2 N4 O4 Zn -","- C22 H24 Br2 N4 O4 Zn -","- C88 H96 Br8 N16 O16 Zn4 -","4","1","DN2351","Lemoine, Pascale; Viossat, Bernard; Brion, Jean Daniel; Bekaert, Alain","Dibromidobis(4-hydroxy-1,5-dimethyl-2-phenyl-3-pyrazolone)zinc(II)","Acta Crystallographica Section E","2008","64","7","m891","m892","10.1107/S1600536808016838","","","0.71073","MoKα","","0.1556","0.0348","","","0.0715","0.0932","","","","","","0.904","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2223345","7.9038","0.0007","7.9038","0.0007","50.228","0.008","90","","90","","90","","3137.7","0.6","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","(<i>R</i>)-(-)-N-Isovalerylcamphorsultam","","- C15 H25 N O3 S -","- C15 H25 N O3 S -","- C120 H200 N8 O24 S8 -","8","2","CV2605","Zhou, Wei; Zhang, Shijie; Hu, Weixiao","(<i>R</i>)-({-})-<i>N</i>-Isovalerylcamphorsultam","Acta Crystallographica Section E","2009","65","10","o2371","","10.1107/S1600536809035120","","","0.71073","MoKα","","0.0592","0.0454","","","0.1023","0.1091","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223701","13.5588","0.0017","13.5588","0.0017","14.3993","0.0018","90","","90","","90","","2647.2","0.6","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","<i>N</i>'-(2-Chlorobenzylidene)benzohydrazide","","- C14 H11 Cl N2 O -","- C14 H11 Cl N2 O -","- C112 H88 Cl8 N16 O8 -","8","2","CV2620","Fan, Chuan-Gang; Song, Ming-Zhi","<i>N</i>'-(2-Chlorobenzylidene)benzohydrazide","Acta Crystallographica Section E","2009","65","11","o2679","","10.1107/S1600536809040331","","","0.71073","MoKα","","0.099","0.0406","","","0.0707","0.0927","","","","","","1.031","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224179","9.3194","0.0004","9.3194","0.0004","17.442","0.0008","90","","90","","90","","1514.86","0.12","100","2","100","2","","","","","","","","4","P 41","P 4w","76","","<i>tert</i>-butyl 3-{[1-(methoxycarbonyl)ethyl]aminocarbonyl}-3-methylcarbazate","","- C11 H21 N3 O5 -","- C11 H21 N3 O5 -","- C44 H84 N12 O20 -","4","1","DN2501","Abbas, Cécile; Jamart Grégoire, Brigitte; Vanderesse, Régis; Didierjean, Claude","Boc-AzAla-Ala-OMe","Acta Crystallographica Section E","2009","65","12","o3079","","10.1107/S1600536809045498","","","0.71073","MoKα","","","0.0357","","","","0.0757","","","","","","1.121","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225167","6.5261","0.0001","6.5261","0.0001","10.8427","0.0004","90","","90","","90","","461.79","0.02","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","potassium magnesium niobium oxide phosphate","","- K0.96 Mg0.32 Nb0.68 O5 P -","- K0.964 Mg0.3214 Nb0.6786 O5 P -","- K3.856 Mg1.2856 Nb2.7144 O20 P4 -","4","1","BR2136","Babaryk, Artem A.; Bon, Vladimir; Zatovsky, Igor V.; Slobodyanik, Nikolay S.; Pekhnyo, Vasily","Reinvestigation of KMg~1/3~Nb~2/3~OPO~4~","Acta Crystallographica Section E","2010","66","3","i15","i16","10.1107/S1600536810004617","","","0.71073","MoKα","","0.0257","0.0251","","","","0.0551","","","","","","1.196","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2235594","9.8731","0.0006","9.8731","0.0006","14.2455","0.0017","90","","90","","90","","1388.6","0.2","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","(<i>Z</i>)-3-<i>o</i>-Tolyl-3-(<i>p</i>-tolyloxy)acrylonitrile","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","RK2361","Zhou, Li; Wang, Chuan-Hu; Zhou, Mi","(<i>Z</i>)-3-<i>o</i>-Tolyl-3-(<i>p</i>-tolyloxy)acrylonitrile","Acta Crystallographica Section E","2012","68","7","o2085","","10.1107/S1600536812025858","","","0.71073","MoKα","","0.0538","0.0405","","","0.1011","0.111","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2239399","14.04454","0.00017","14.04454","0.00017","14.2657","0.0003","90","","90","","90","","2813.9","0.08","100","2","100.15","","","","","","","","","8","P 41","P 4w","76","","<i>mer</i>-Hydridotris(trimethylphosphane-κ<i>P</i>)(<i>D</i>-valinato-κ^2^<i>N</i>,<i>O</i>)iridium hexafluoridophosphate dichloromethane 0.675-solvate","","- C14.68 H39.35 Cl1.35 F6 Ir N O2 P4 -","- C14.675 H39.35 Cl1.35 F6 Ir N O2 P4 -","- C58.7 H157.4 Cl5.4 F24 Ir4 N4 O8 P16 -","4","1","PK2516","Merola, Joseph S.; Slebodnick, Carla; Berg, Michael; Ritchie, Melissa K.","<i>mer</i>-Hydridotris(trimethylphosphane-κ<i>P</i>)(<small>D</small>-valinato-κ^2^<i>N</i>,<i>O</i>)iridium hexafluoridophosphate dichloromethane 0.675-solvate","Acta Crystallographica Section E","2014","70","3","m82","","10.1107/S1600536814002165","","","0.71073","MoKα","","0.0467","0.0307","","","0.0446","0.0461","","","","","","0.805","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2241867","9.6621","0.0005","9.6621","0.0005","27.894","0.0017","90","","90","","90","","2604.1","0.2","200","2","200","2","","","","","","","","4","P 41","P 4w","76","","Dimethylammonium 2,4,5-tricarboxybenzoate","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C96 H104 N8 O64 -","8","2","SJ5505","Hulushe, S. T.; Hosten, E. C.; Watkins, G. M.","Dimethylammonium 2,4,5-tricarboxybenzoate: an example of the decarbonylation of <i>N</i>,<i>N</i>-dimethylformamide in the presence of a metal and a benzenepolycarboxylic acid. Is zirconium(IV) the <i>Tsotsi</i>?","Acta Crystallographica Section E","2016","72","11","1521","1525","10.1107/S2056989016014948","","","0.71073","MoKα","","0.0482","0.0455","","","0.1322","0.1338","","","","","","1.147","","","","has coordinates,has Fobs","186912","2020-10-21","18:00:00",""
"2310996","6.98","","6.98","","24.2","","90","","90","","90","","1179.03","","","","","","","","","","","","","3","P 41","P 4w","76","","I (Sb Cl8)","","- Cl8 I Sb -","- Cl8 I Sb -","- Cl32 I4 Sb4 -","4","1","","Vonk, C.G.; Wiebenga, E.H.","The crystal structure of I Sb Cl8 and I Al Cl6","Acta Crystallographica (1,1948-23,1967)","1959","12","","859","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311324","9.0124","0.0002","9.0124","0.0002","12.82","0.0002","90","","90","","90","","1041.28","0.04","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","1-(Cyclopentylideneamino)-3-(prop-2-en-1-yl)thiourea","","- C9 H15 N3 S -","- C9 H15 N3 S -","- C36 H60 N12 S4 -","4","1","HB7535","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Abdel-Aziz, Ahmed T; Albayati, Mustafa R.","Crystal structure of 1-(cyclo-pentyl-idene-amino)-3-(prop-2-en-1-yl)thio-urea.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","o924","5","10.1107/S2056989015021003","","","1.54178","CuKα","","0.0432","0.0412","","","0.1074","0.1092","","","","","","1.1","","","","has coordinates","245794","2020-10-21","18:00:00",""
"4000713","10.45","0.005","10.45","0.005","22.736","0.005","90","0.005","90","0.005","90","0.005","2482.8","1.8","293","2","293","2","","","","","","","synthesis as described","6","P 41","P 4w","76","Compound X","","","- C12 H0 Mn2 N16 Nb O6 -","- C12 Mn2 N16 Nb O6 -","- C48 Mn8 N64 Nb4 O24 -","4","1","","Pinkowicz, Dawid; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Majcher, Anna Małgorzata; Nuida, Tomohiro; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Multifunctional Magnetic Molecular {[MnII(urea)2(H2O)]2[NbIV(CN)8]}nSystem: Magnetization-Induced SHG in the Chiral Polymorph","Chemistry of Materials","2011","23","1","21","","10.1021/cm102388q","","x-ray","0.71069","MoKα","","0.0616","0.0545","","","0.1343","0.1396","","","","","","1.102","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4020259","11.7529","0.0007","11.7529","0.0007","15.9649","0.0019","90","","90","","90","","2205.2","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H19 Br N4 O8 -","- C18 H19 Br N4 O8 -","- C72 H76 Br4 N16 O32 -","4","1","","Manuela Tosin; Colin O'Brien; Geraldine M. Fitzpatrick; Helge Müller-Bunz; W. Kenneth Glass; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4096","4106","10.1021/jo0501994","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021972","9.7784","0.0006","9.7784","0.0006","22.852","0.003","90","","90","","90","","2185","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C28 H29 Fe N O -","- C28 H29 Fe N O -","- C112 H116 Fe4 N4 O4 -","4","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0307","0.0291","","","0.0687","0.0696","","","","","","1.025","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4022172","11.8067","0.0004","11.8067","0.0004","19.3721","0.0007","90","","90","","90","","2700.43","0.16","150","2","150","2","","","","","","","synthetised","6","P 41","P 4w","76","","(S~Fc~,S~S~)-2-(N-tosyl-1-amino-2-cyclohexyl)-1-tert-butylsulfinylferrocene","","- C28 H37 Fe N O3 S2 -","- C28 H37 Fe N O3 S2 -","- C112 H148 Fe4 N4 O12 S8 -","4","1","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0393","0.0271","","","0.0574","0.0616","","","","","","1.035","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022924","13.4226","0.0009","13.4226","0.0009","13.1399","0.0018","90","","90","","90","","2367.4","0.4","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C27 H33 Br O2 -","- C27 H33 Br O2 -","- C108 H132 Br4 O8 -","4","1","","Douglass F. Taber; M. Inthikhab Sikkander; Pierre H. Storck","Enantioselective Synthesis of (+)-Majusculone","Journal of Organic Chemistry","2007","72","","4098","4101","10.1021/jo070257g","","","0.71073","MoKα","","0.113","0.0601","","","0.1133","0.1306","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024141","11.125","0.0008","11.125","0.0008","22.9386","0.0019","90","","90","","90","","2839","0.4","296.1","","","","","","","","","","","4","P 41","P 4w","76","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Hideko Koshima; Michitaro Fukano; Hidehiro Uekusa","Diastereospecific Photocyclization of a Isopropylbenzophenone Derivative in Crystals and the Morphological Changes","Journal of Organic Chemistry","2007","72","","6786","6791","10.1021/jo071005i","","","1.54187","CuK'a","","","0.0625","","","","0.189","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024474","14.1895","0.0004","14.1895","0.0004","9.755","0.0006","90","","90","","90","","1964.09","0.14","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H18 Cl N O2 S -","- C22 H18 Cl N O2 S -","- C88 H72 Cl4 N4 O8 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0447","0.0361","","","0.0825","0.0868","","","","","","1.033","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024937","14.6394","0.0004","14.6394","0.0004","18.0698","0.0004","90","","90","","90","","3872.58","0.17","150","1","150","1","","","","","","","","4","P 41","P 4w","76","","","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C160 H224 N16 O16 -","8","2","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0929","0.0599","","","0.1188","0.1357","","","","","","1.071","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4025408","6.5963","0.0002","6.5963","0.0002","13.975","0.0003","90","","90","","90","","608.07","0.03","150","","150","","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0276","0.0249","","0.0281","0.0257","0.0257","","","","","","0.9295","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025662","10.00744","0.00018","10.00744","0.00018","13.5007","0.0003","90","","90","","90","","1352.08","0.05","123.1","","","","","","","","","","","4","P 41","P 4w","76","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0264","","","","0.0615","","","","","","1.278","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025693","11.16","0.003","11.16","0.003","5.904","0.003","90","","90","","90","","735.3","0.5","293","2","293","2","","","","","","","see text","4","P 41","P 4w","76","","1-deoxy-5-thio-D-talopyrano-3,6-lactone","","- C6 H8 O4 S -","- C6 H8 O4 S -","- C24 H32 O16 S4 -","4","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.0293","0.0285","","","0.0716","0.072","","","","","","1.132","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027102","11.2117","0.0002","11.2117","0.0002","54.8735","0.001","90","","90","","90","","6897.7","0.2","93","","93","","","","","","","","","5","P 41","P 4w","76","","","","- C86 H64 Cl4 O6 P2 -","- C86 H64 Cl4 O6 P2 -","- C344 H256 Cl16 O24 P8 -","4","1","","Bunpei Hatano; Kazuyuki Hashimoto; Hiroshi Katagiri; Tatsuro Kijima; Satoshi Murakami; Shigeru Matsuba; Miho Kusakari","Enantioresolution of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl Oxide Using Inclusion Complex with Chiral 2,2'-Dihydroxy-1,1'-binaphtyl","Journal of Organic Chemistry","2012","77","","3595","3597","10.1021/jo202630p","","","1.54187","CuKα","","0.04","0.0399","","","0.1032","0.1033","","","","","","1.06","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027575","10.6771","0.0002","10.6771","0.0002","21.568","0.0008","90","","90","","90","","2458.76","0.11","293","2","293","2","","","","","","","synthesis as described","3","P 41","P 4w","76","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","","Jonathan M. Faber; Wilhelm A. Eger; Craig M. Williams","Enantioselective Total Synthesis of the Mexicanolides: Khayasin, Proceranolide, and Mexicanolide","Journal of Organic Chemistry","2012","77","","8913","8921","10.1021/jo301182f","","x-ray","1.5418","CuKα","","0.0415","0.0337","","","0.0838","0.0866","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027605","9.0364","0.0004","9.0364","0.0004","14.7769","0.0009","90","","90","","90","","1206.63","0.11","293","2","293.15","","","","","","","","","6","P 41","P 4w","76","","","","- C13 H11 F N O S -","- C13 H10 F N O S -","- C52 H40 F4 N4 O4 S4 -","4","1","","Jun Li; Yunfei Cai; Weiliang Chen; Xiaohua Liu; Lili Lin; Xiaoming Feng","Highly Enantioselective Fluorination of Unprotected 3-Substituted Oxindoles: One-Step Synthesis of BMS 204352 (MaxiPost)","Journal of Organic Chemistry","2012","77","","9148","9155","10.1021/jo301705t","","","0.7107","MoKα","","0.0638","0.0475","","","0.1087","0.1229","","","","","","1.067","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4028234","17.0756","0.0007","17.0756","0.0007","5.7157","0.0003","90","","90","","90","","1666.56","0.13","103","2","103","2","","","","","","","","4","P 41","P 4w","76","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","1","","Guanghu Tong; Bo Zhu; Richmond Lee; Wenguo Yang; Davin Tan; Caiyun Yang; Zhiqiang Han; Lin Yan; Kuo-Wei Huang; Zhiyong Jiang","Highly Enantio- and Diastereoselective Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Allyl Ketones","Journal of Organic Chemistry","2013","78","","5067","5072","10.1021/jo400496z","","","0.71073","MoKα","","0.0591","0.0453","","","0.1085","0.1295","","","","","","1.097","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4029156","21.1267","0.0013","21.1267","0.0013","4.6047","0.0003","90","","90","","90","","2055.3","0.2","173","2","173","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H18 Cl F N12 -","- C20 H18 Cl F N12 -","- C80 H72 Cl4 F4 N48 -","4","1","","Li, Jiang-Tao; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Resolution, Structure, and Racemization of Inherently Chiral 1,3-Alternate Azacalix[4]pyrimidines: Quantification of Conformation Mobility.","The Journal of organic chemistry","2014","79","5","2178","2188","10.1021/jo500054v","","","0.71073","MoKα","","0.0994","0.0882","","","0.1973","0.2045","","","","","","1.119","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029263","10.0361","0.0003","10.0361","0.0003","15.3067","0.0004","90","","90","","90","","1541.74","0.08","193","2","193","2","","","","","","","","5","P 41","P 4w","76","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0898","0.0573","","","0.1074","0.1206","","","","","","1.015","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4033181","11.3384","0.0004","11.3384","0.0004","17.9222","0.0011","90","","90","","90","","2304.07","0.18","85","2","85","2","","","","","","","","6","P 41","P 4w","76","","","","- C20 H33 B N2 O4 S -","- C20 H33 B N2 O4 S -","- C80 H132 B4 N8 O16 S4 -","4","1","","Rarig, Robert-André F; Nelson, John M.; Vedejs, Edwin","Synthesis of a Nonracemic C2-Symmetric Tetrahydro-1,4-azaborine and Evaluation of Hydroboration Enantioselectivity.","The Journal of organic chemistry","2017","82","23","12757","12762","10.1021/acs.joc.7b01904","","","0.71073","MoKα","","0.037","0.0356","","","0.096","0.0975","","","","","","1.046","","","","has coordinates","204865","2020-10-21","18:00:00",""
"4034782","7.52861","0.00009","7.52861","0.00009","32.1688","0.0009","90","","90","","90","","1823.33","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H19 Cl2 N O2 -","- C20 H19 Cl2 N O2 -","- C80 H76 Cl8 N4 O8 -","4","1","","Maslivetc, Vladimir A.; Turner, Danielle N.; McNair, Kimberly N.; Frolova, Liliya; Rogelj, Snezna; Maslivetc, Anna A.; Aksenov, Nicolai A.; Rubina, Marina; Rubin, Michael","Desymmetrization of Cyclopropenes via the Potassium-Templated Diastereoselective 7- exo- trig Cycloaddition of Tethered Amino Alcohols toward Enantiopure Cyclopropane-Fused Oxazepanones with Antimycobacterial Activity.","The Journal of organic chemistry","2018","83","10","5650","5664","10.1021/acs.joc.8b00640","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0756","0.0758","","","","","","1.044","","","","has coordinates","226305","2020-10-21","18:00:00",""
"4035247","7.908","0.0001","7.908","0.0001","25.1636","0.0005","90","","90","","90","","1573.64","0.04","100","2","100","2","","","","","","","","7","P 41","P 4w","76","","","","- C16 H13 B F3 N3 O S -","- C16 H13 B F3 N3 O S -","- C64 H52 B4 F12 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Ceborska, Magdalena; Cmoch, Piotr; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinines: Synthesis, Structural, and Photophysical Properties.","The Journal of organic chemistry","2018","83","19","12129","12142","10.1021/acs.joc.8b02098","","","1.54184","CuKα","","0.0589","0.056","","","0.1403","0.1424","","","","","","1.099","","","","has coordinates","226713","2020-10-21","18:00:00",""
"4036138","11.971","0.002","11.971","0.002","16.556","0.003","90","","90","","90","","2372.6","0.7","173.15","","173.15","","","","","","","","","6","P 41","P 4w","76","","","","- C24 H23 Br F3 N O3 -","- C24 H23 Br F3 N O3 -","- C96 H92 Br4 F12 N4 O12 -","4","1","","Wang, Dong-Ling; Liang, Zhi-Qin; Chen, Kun-Quan; Sun, De-Qun; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of trifluoromethyldihydropyridinones.","The Journal of organic chemistry","2015","80","11","5900","5905","10.1021/acs.joc.5b00232","","","0.71073","MoKα","","0.0456","0.0405","","","0.0886","0.0918","","","","","","1.114","","","","has coordinates","234295","2020-10-21","18:00:00",""
"4036841","10.32","0.03","10.32","0.03","18.06","0.05","90","","90","","90","","1923","10","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","1-((3S,4S)-2,2-bis(4-fluorophenyl)-4-methyl-5-oxotetrahydrofuran-3-yl)- 1,3-dimethylurea","","- C20 H20 F2 N2 O3 -","- C20 H20 F2 N2 O3 -","- C80 H80 F8 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1197","0.0502","","","0.0751","0.0838","","","","","","0.998","","","","has coordinates","235320","2020-10-21","18:00:00",""
"4038059","8.22498","0.00012","8.22498","0.00012","36.194","0.0007","90","","90","","90","","2448.53","0.07","140","0.6","140","1","","","","","","","","6","P 41","P 4w","76","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0385","0.0329","","","0.0647","0.0662","","","","","","1.077","","","","has coordinates","249372","2020-10-21","18:00:00",""
"4061835","10.831","0.002","10.831","0.002","31.904","0.006","90","","90","","90","","3742.7","1.2","200","2","200","2","","","","","","","","6","P 41","P 4w","76","","","","- C42 H49 Cl O5 P Rh -","- C42 H49 Cl O5 P Rh -","- C168 H196 Cl4 O20 P4 Rh4 -","4","1","","Selent, Detlef; Baumann, Wolfgang; Kempe, Rhett; Spannenberg, Anke; Röttger, Dirk; Wiese, Klaus-Diether; Börner, Armin","Reactions of a Hydroxy Phosphonite Ligand in the Coordination Sphere of Rhodium(I)","Organometallics","2003","22","21","4265","4271","10.1021/om0204686","","","","","","","0.0286","","","0.0628","","","","","","","","","","","has coordinates","192083","2020-10-21","18:00:00",""
"4062451","9.3107","0.0003","9.3107","0.0003","30.4556","0.0011","90","","90","","90","","2640.17","0.15","173","2","173","2","","","","","","","","4","P 41","P 4w","76","[Ti(Ch2Ph)2(C7H12N3)2]","","","- C28 H38 N6 Ti -","- C28 H38 N6 Ti -","- C112 H152 N24 Ti4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4065639","8.3891","0.0003","8.3891","0.0003","39.28","0.003","90","","90","","90","","2764.4","0.3","153","2","153","2","","","","","","","","5","P 41","P 4w","76","","","","- C26 H28 O9 Ru Si -","- C26 H28 O9 Ru Si -","- C104 H112 O36 Ru4 Si4 -","4","1","","Yamamoto, Yoshihiko; Yamashita, Ken; Nakamura, Mitsutaka","Synthesis of Organometallic Analogues of SpirocyclicC-Arylribosides","Organometallics","2010","29","6","1472","","10.1021/om100043f","","","0.71073","MoKα","","0.0479","0.0433","","","0.0909","0.0923","","","","","","1.216","","","","has coordinates","275192","2022-05-07","02:41:13",""
"4067478","11.2225","0.001","11.2225","0.001","28.17","0.003","90","","90","","90","","3547.9","0.6","133","2","133","2","","","","","","","","6","P 41","P 4w","76","","","","- C36 H50 Au Cl P2 Zr2 -","- C36 H50 Au Cl P2 Zr2 -","- C144 H200 Au4 Cl4 P8 Zr8 -","4","1","","Büschel, Susanne; Daniliuc, Constantin; Jones, Peter G.; Tamm, Matthias","Ambiphilic Reactivity of a Phosphane-Functionalized Cycloheptatrienyl−Cyclopentadienyl Zirconium Sandwich Complex","Organometallics","2010","29","3","671","","10.1021/om9009763","","","0.71073","MoKα","","0.0315","0.0238","","","0.0435","0.0454","","","","","","0.929","","","","has coordinates,has disorder","178565","2020-10-21","18:00:00",""
"4069487","19.213","0.001","19.213","0.001","11.9944","0.0011","90","","90","","90","","4427.6","0.5","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C33 H41 Fe N3 O2 Si2 -","- C33 H41 Fe N3 O2 Si2 -","- C132 H164 Fe4 N12 O8 Si8 -","4","1","","Tondreau, Aaron M.; Darmon, Jonathan M.; Wile, Bradley M.; Floyd, Sarah K.; Lobkovsky, Emil; Chirik, Paul J.","Enantiopure Pyridine Bis(oxazoline) “Pybox” and Bis(oxazoline) “Box” Iron Dialkyl Complexes: Comparison to Bis(imino)pyridine Compounds and Application to Catalytic Hydrosilylation of Ketones","Organometallics","2009","28","13","3928","","10.1021/om900224e","","","0.71073","MoKα","","0.0682","0.0472","","","0.0918","0.0997","","","","","","0.884","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4072866","12.329","0.0004","12.329","0.0004","39.604","0.002","90","","90","","90","","6020","0.4","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C74 H60 Cu2 P2 Pt2 -","- C74 H60 Cu2 P2 Pt2 -","- C296 H240 Cu8 P8 Pt8 -","4","1","","Casas, José M.; Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta","New Mono- and Polynuclear Alkynyl Complexes Containing Phenylacetylide as Terminal or Bridging Ligand. X-ray Structures of the Compounds NBu4[Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)2], [Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)(CO)], [{Pt(CH2C6H4P(o-tolyl)2-κC,P)(μ-C⋮CPh)}2], and [{Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)2Cu}2]","Organometallics","2007","26","7","1674","","10.1021/om061102m","","","0.71073","MoKα","","0.0194","0.0188","","","0.0454","0.0455","","","","","","1.023","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4075429","10.6787","0.0003","10.6787","0.0003","34.894","0.002","90","","90","","90","","3979.1","0.3","150","2","150","2","","","","","","","","8","P 41","P 4w","76","","","","- C39 H44 Cl2 Cu F6 N4 O2 P -","- C39 H44 Cl2 Cu F6 N4 O2 P -","- C156 H176 Cl8 Cu4 F24 N16 O8 P4 -","4","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.71073","MoKα","","0.0641","0.0546","","","0.1343","0.1422","","","","","","1.078","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4076317","11.3","0.0003","11.3","0.0003","28.1345","0.0018","90","","90","","90","","3592.5","0.3","173","2","173","2","","","","","","","","4","P 41","P 4w","76","","","","- C38 H18 Co4 O12 -","- C38 H18 Co4 O12 -","- C152 H72 Co16 O48 -","4","1","","Melikyan, Gagik G.; Rivas, Bianca; Harutyunyan, Stepan; Carlson, Louis; Sepanian, Ruth","Cobaltocene-Induced Low-Temperature Radical Coupling Reactions in a Cobalt‒Alkyne Series","Organometallics","2012","31","5","1653","","10.1021/om2006497","","","1.54178","CuKα","","0.138","0.092","","","0.248","0.2777","","","","","","1.05","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4084164","10.1368","0.0009","10.1368","0.0009","18.0925","0.0015","90","","90","","90","","1859.1","0.3","296","","296","","","","","","","","","5","P 41","P 4w","76","","","","- C16 H25 N O2 Sn -","- C16 H25 N O2 Sn -","- C64 H100 N4 O8 Sn4 -","4","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","0.71075","MoKα","","","0.0519","","","","0.0261","","","","","","1.433","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084171","10.0506","0.0004","10.0506","0.0004","17.8645","0.0008","90","","90","","90","","1804.57","0.13","123","","123","","","","","","","","","6","P 41","P 4w","76","","","","- C15 H22 Br N O2 Sn -","- C15 H22 Br N O2 Sn -","- C60 H88 Br4 N4 O8 Sn4 -","4","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","0.71075","MoKα","","","0.0335","","","","0.0463","","","","","","0.896","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4100229","12.3265","0.0006","12.3265","0.0006","29.6626","0.0019","90","","90","","90","","4507","0.4","133","2","133","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H24 Br Cl6 S16 -","- C112 H96 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100230","12.4007","0.0003","12.4007","0.0003","29.8325","0.001","90","","90","","90","","4587.6","0.2","270","2","270","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C27.8 H16 Br Cl6 S16 -","- C111.2 H64 Br4 Cl24 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100231","12.3954","0.0014","12.3954","0.0014","29.811","0.005","90","","90","","90","","4580.3","1.1","170","2","170","2","","","","","","","","5","P 41","P 4w","76","gammma-TBC3_Br_TCE2","","","- C28 H30 Br Cl6 S16 -","- C28 H24 Br Cl3.55 S16 -","- C112 H96 Br4 Cl14.2 S64 -","4","1","","Michio M. Matsushita; Tadashi Sugawara","Current-Induced Low-Resistance State and Its Crystal Structure of a TTF-Based Dimeric Donor Salt","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","178748","2020-10-21","18:00:00",""
"4101156","15.5345","0.0008","15.5352","0.0009","19.5287","0.0008","90.021","0.004","90.022","0.004","90","","4712.9","0.4","293","","293","","","","","","","","","2","P 41","P 4w","76","","","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","2","","Miao, Qian; Chi, Xiaoliu; Zeis, Roswitha; Lefenfeld, Michael; Kloc, Christian; Siegrist, Theo; Steigerwald, Michael; Nuckolls, Colin","Organization of Acenes with a Cruciform Assembly Motif","Journal of the American Chemical Society","2006","","","","","10.1021/ja0570786","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102586","10.8373","0.0009","10.8373","0.0009","14.8921","0.0013","90","","90","","90","","1749","0.3","100","","100","","","","","","","","dichloromethane","4","P 41","P 4w","76","","2-(R)-ethoxy-5,5-di(4-bromophenyl)tetrahydrofuran","","- C18 H18 Br2 O2 -","- C18 H18 Br2 O2 -","- C72 H72 Br8 O8 -","4","1","","Ilija Čorić; Sreekumar Vellalath; Benjamin List","Catalytic Asymmetric Transacetalization","Journal of the American Chemical Society","2010","132","","8536","8537","10.1021/ja102753d","","","1.54178","Cu-Kα","","0.0168","0.0168","","","0.0407","0.0407","","","","","","1.133","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103882","25.5737","0.0009","25.5737","0.0009","12.5736","0.0009","90","","90","","90","","8223.3","0.7","173","2","173","2","","","","","","","","6","P 41","P 4w","76","06235b","","","- C83 H62 F24 N14 P4 Ru2 -","- C83 H62 F24 N14 P4 Ru2 -","- C332 H248 F96 N56 P16 Ru8 -","4","1","","Kari A. McGee; Kent R. Mann","Inefficient Crystal Packing in Chiral [Ru(phen)3](PF6)2 Enables Oxygen Molecule Quenching of the Solid-State MLCT Emission","Journal of the American Chemical Society","2009","131","","1896","1902","10.1021/ja8075605","","","0.71073","MoKα","","0.1209","0.073","","","0.1549","0.1755","","","","","","1.027","","","","has coordinates","178784","2020-10-21","18:00:00",""
"4105604","12.73727","0.00014","12.73727","0.00014","25.1972","0.0004","90","","90","","90","","4087.94","0.09","110","2","110","2","","","","","","","","6","P 41","P 4w","76","","","","- C40 H50 Cl3 Fe N3 S -","- C40 H50 Cl3 Fe N3 S -","- C160 H200 Cl12 Fe4 N12 S4 -","4","1","","Yosra M. Badiei; Maxime A. Siegler; David P. Goldberg","O2 Activation by Bis(imino)pyridine Iron(II)-Thiolate Complexes","Journal of the American Chemical Society","2011","133","","1274","1277","10.1021/ja109923a","","","0.71073","MoKα","","0.0463","0.0382","","","0.0908","0.0929","","","","","","1.016","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4106900","11.9184","0.0003","11.9184","0.0003","24.2844","0.0008","90","","90","","90","","3449.56","0.17","200","2","200","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H60 Fe N2 P2 Si4 -","- C22 H60 Fe N2 P2 Si4 -","- C88 H240 Fe4 N8 P8 Si16 -","4","1","","Po-Heng Lin; Nathan C. Smythe; Serge I. Gorelsky; Steven Maguire; Neil J. Henson; Ilia Korobkov; Brian L. Scott; John C. Gordon; R. Tom Baker; Muralee Murugesu","Importance of Out-of-State Spin-Orbit Coupling for Slow Magnetic Relaxation in Mononuclear FeII Complexes","Journal of the American Chemical Society","2011","133","","15806","15809","10.1021/ja203845x","","","0.71073","MoKα","","0.037","0.0286","","","0.0591","0.0612","","","","","","1.042","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4107677","7.424","0.0003","7.424","0.0003","19.255","0.0006","90","","90","","90","","1061.25","0.07","173","0.1","173","0.1","","","","","","","synthesis as described","5","P 41","P 4w","76","","","","- C8 H6 Br F5 N2 -","- C8 H6 Br F5 N2 -","- C32 H24 Br4 F20 N8 -","4","1","","Markus Albrecht; Claudia Wessel; Marita de Groot; Kari Rissanen; Arne Lüchow","Structural Versatility of Anion-π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations","Journal of the American Chemical Society","2008","130","","4600","4601","10.1021/ja800219g","","x-ray","0.71073","MoKα","","0.0394","0.0337","","","0.069","0.0722","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107888","9.2942","0.0008","9.2942","0.0008","16.1873","0.0019","90","","90","","90","","1398.3","0.2","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Ying-Qing Jiang; Yong-Ling Shi; Min Shi","Chiral Phosphine-Catalyzed Enantioselective Construction of γ-Butenolides Through Substitution of Morita-Baylis-Hillman Acetates with 2-Trimethylsilyloxy Furan","Journal of the American Chemical Society","2008","130","","7202","7203","10.1021/ja802422d","","","0.71073","MoKα","","0.0752","0.065","","","0.1574","0.1632","","","","","","1.07","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4109262","11.0742","0.0004","11.0742","0.0004","25.464","0.002","90","","90","","90","","3122.9","0.3","293","2","293","2","","","","","","","","4","P 41","P 4w","76","Boc-betaLeu-Gpn-Val-OMe","","","- C27 H49 N3 O6 -","- C27 H49 N3 O6 -","- C108 H196 N12 O24 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0968","0.0855","","","0.1916","0.1982","","","","","","1.239","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4110272","12.8314","0.0006","12.8314","0.0006","44.695","0.004","90","","90","","90","","7358.8","0.8","173","2","173","2","","","","","","","","6","P 41","P 4w","76","05151x","","","- C84 H24 B2 F40 N6 Ru -","- C84 H24 B2 F40 N6 Ru -","- C336 H96 B8 F160 N24 Ru4 -","4","1","","Kari A. McGee; David J. Veltkamp; Brian J. Marquardt; Kent R. Mann","Porous Crystalline Ruthenium Complexes Are Oxygen Sensors","Journal of the American Chemical Society","2007","129","","15092","15093","10.1021/ja0681772","","","0.71073","MoKα","","0.0709","0.057","","","0.104","0.1083","","","","","","1.104","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110917","22.65","0.02","22.65","0.02","21.63","0.02","90","","90","","90","","11097","17","293","2","293","2","","","","","","","","4","P 41","P 4w","76","cucurbit[8]uril/WGG peptide complex","","","- C63 H172 N36 O44 -","- C63 H66 N36 O42 -","- C252 H264 N144 O168 -","4","1","","Lisa M. Heitmann; Alexander B. Taylor; P. John Hart; Adam R. Urbach","Sequence-Specific Recognition and Cooperative Dimerization of N-Terminal Aromatic Peptides in Aqueous Solution by a Synthetic Host","Journal of the American Chemical Society","2006","128","","12574","12581","10.1021/ja064323s","","","0.88559","synchrotron","","0.1301","0.1288","","","0.3464","0.3488","","","","","","2.61","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4114284","13.8487","0.0003","13.8487","0.0003","57.189","0.002","90","","90","","90","","10968.1","0.5","213","2","213","2","","","","","","","","9","P 41","P 4w","76","[Mo2(DAniF)3]2Zn(OCH3)4(PF6),4(CH2Cl2)","","","- C98 H110 Cl8 F6 Mo4 N12 O16 P Zn -","- C98 H110 Cl8 F6 Mo4 N12 O16 P Zn -","- C392 H440 Cl32 F24 Mo16 N48 O64 P4 Zn4 -","4","1","","F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang","Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion","Journal of the American Chemical Society","2003","125","","12945","12952","10.1021/ja036920+","","","0.71073","MoKα","","0.0785","0.0696","","","0.1619","0.1673","","","","","","1.092","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114285","13.8316","0.0003","13.8316","0.0003","57.273","0.002","90","","90","","90","","10957.1","0.5","213","2","213","2","","","","","","","","9","P 41","P 4w","76","[Mo2(DAniF)3]2Co(OCH3)4(PF6),4(CH2Cl2)","","","- C98 H110 Cl8 Co F6 Mo4 N12 O16 P -","- C98 H110 Cl8 Co F6 Mo4 N12 O16 P -","- C392 H440 Cl32 Co4 F24 Mo16 N48 O64 P4 -","4","1","","F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang","Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion","Journal of the American Chemical Society","2003","125","","12945","12952","10.1021/ja036920+","","","0.71073","MoKα","","0.0486","0.0426","","","0.098","0.102","","","","","","1.076","","","","has coordinates,has disorder","178913","2020-10-21","18:00:00",""
"4114773","19.7635","0.0006","19.7635","0.0006","15.172","0.0007","90","","90","","90","","5926.1","0.4","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C30 H32 Cl2 Cr O5 -","- C30 H32 Cl2 Cr O5 -","- C240 H256 Cl16 Cr8 O40 -","8","2","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.1224","0.0663","","","0.1296","0.1495","","","","","","1.018","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4115318","9.415","0","9.415","0","20.513","0.001","90","","90","","90","","1818.32","0.09","273.1","","","","","","","","","","","3","P 41","P 4w","76","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Paul A. Wender; Jeremy L. Baryza; Chad E. Bennett; F. Christopher Bi; Stacey E. Brenner; Michael O. Clarke; Joshua C. Horan; Cindy Kan; Emmanuel Lacôte; Blaise Lippa; Peter G. Nell; Tim M. Turner","The Practical Synthesis of a Novel and Highly Potent Analogue of Bryostatin","Journal of the American Chemical Society","2002","124","","13648","13649","10.1021/ja027509+","","","0.7107","MoKα","","","0.034","","","","0.078","","","","","","0.823","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121346","20.0895","0.0011","20.0895","0.0011","23.6913","0.0013","90","","90","","90","","9561.5","0.9","143","1","143","1","","","","","","","","5","P 41","P 4w","76","","","","- C102 H96 Ce K2 O12 -","- C102 H96 Ce K2 O12 -","- C408 H384 Ce4 K8 O48 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0547","0.0395","","","0.0812","0.0857","","","","","","0.968","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4126338","15.8086","0.0004","15.8086","0.0004","11.7043","0.0003","90","","90","","90","","2925.04","0.13","100.15","","100.15","","","","","","","","","4","P 41","P 4w","76","","","","- C31 H43 B N4 -","- C31 H43 B N4 -","- C124 H172 B4 N16 -","4","1","","Chen, Wen-Ching; Shih, Wei-Chih; Jurca, Titel; Zhao, Lili; Andrada, Diego M.; Peng, Chun-Jung; Chang, Chun-Chi; Liu, Shu-Kai; Wang, Yi-Ping; Wen, Yuh-Sheng; Yap, Glenn P. A.; Hsu, Chao-Ping; Frenking, Gernot; Ong, Tiow-Gan","Carbodicarbenes: Unexpected π-Accepting Ability during Re-activity with Small Molecules.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08031","","","0.71073","MoKα","","0.0374","0.0328","","","0.0793","0.0833","","","","","","1.0468","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4127089","7.4122","0.0002","7.4122","0.0002","19.6939","0.0006","90","","90","","90","","1082","0.05","100","2","100.02","","","","","","","","","3","P 41","P 4w","76","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54178","CuKα","","0.032","0.0309","","","0.0786","0.0792","","","","","","1.056","","","","has coordinates","205653","2020-10-21","18:00:00",""
"4128178","12.3048","0.0011","12.3048","0.0011","21.882","0.0019","90","","90","","90","","3313.1","0.5","93","","93","","","","","","","","","8","P 41","P 4w","76","","","","- C32 H34 Cl2 F4 Ir N3 O2 S -","- C32 H34 Cl2 F4 Ir N3 O2 S -","- C128 H136 Cl8 F16 Ir4 N12 O8 S4 -","4","1","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0248","0.0223","","","0.0461","0.0474","","","","","","0.987","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128494","8.612","0.0001","8.612","0.0001","14.7393","0.0002","90","","90","","90","","1093.16","0.02","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H18 As Li N2 -","- C6 H18 As Li N2 -","- C24 H72 As4 Li4 N8 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Versatile Tautomerization of EH<sub>2</sub>-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel.","Journal of the American Chemical Society","2019","141","7","3304","3314","10.1021/jacs.9b00159","","","1.54184","CuKα","","0.0382","0.0374","","","0.0961","0.0991","","","","","","1.079","","","","has coordinates,has disorder","221579","2020-10-21","18:00:00",""
"4128623","17.9521","0.0002","17.9521","0.0002","12.3975","0.0003","90","","90","","90","","3995.44","0.12","100","0.1","100","0.1","","","","","","","","5","P 41","P 4w","76","","2-bromo-3-(naphthalen-2-yl)pent-4-en-1-yl (4-bromophenyl)carbamate","","- C22 H19 Br2 N O2 -","- C22 H19 Br2 N O2 -","- C176 H152 Br16 N8 O16 -","8","2","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0646","0.0569","","","0.1482","0.1535","","","","","","1.072","","","","has coordinates","221704","2020-10-21","18:00:00",""
"4129686","13.3617","0.001","13.3617","0.001","16.3676","0.0012","90","","90","","90","","2922.2","0.4","147","2","147","2","","","","","","","","5","P 41","P 4w","76","","","","- C34 H33 N3 O4 Ti -","- C34 H33 N3 O4 Ti -","- C136 H132 N12 O16 Ti4 -","4","1","","Seo, Min-Seob; Kim, Hyunwoo","(1)H NMR chiral analysis of charged molecules via ion pairing with aluminum complexes.","Journal of the American Chemical Society","2015","137","44","14190","14195","10.1021/jacs.5b09555","","","0.71073","MoKα","","0.0356","0.0313","","","0.0732","0.0751","","","","","","1.03","","","","has coordinates","240360","2020-10-21","18:00:00",""
"4133688","13.5965","0.0002","13.5965","0.0002","37.2086","0.0007","90","","90","","90","","6878.56","0.19","90","2","90","2","","","","","","","","7","P 41","P 4w","76","","","","- C78 H78 Al F6 N6 O7 P -","- C78 H78 Al F6 N6 O7 P -","- C312 H312 Al4 F24 N24 O28 P4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0718","0.0564","","","0.1406","0.1502","","","","","","1.016","","","","has coordinates,has disorder","243419","2020-10-21","18:00:00",""
"4133689","13.5799","0.0003","13.5799","0.0003","37.5593","0.0007","90","","90","","90","","6926.4","0.3","90","2","90","2","","","","","","","","5","P 41","P 4w","76","","","","- C66 H54 Al N6 O4 -","- C66 H54 Al N6 O4 -","- C264 H216 Al4 N24 O16 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Sayler, Richard I.; Britt, R. David; Thompson, Emily J.; Muñoz, M Teresa; Fettinger, James C.; Berben, Louise A.","Organic Electron Delocalization Modulated by Ligand Charge States in [L<sub>2</sub>M]<sup> <i>n-</i> </sup> Complexes of Group 13 Ions.","Journal of the American Chemical Society","2019","141","40","15792","15803","10.1021/jacs.9b05602","","","1.54178","CuKα","","0.0481","0.0438","","","0.1154","0.1182","","","","","","1.047","","","","has coordinates","243419","2020-10-21","18:00:00",""
"4301260","8.3936","0.0004","8.3936","0.0001","11.2283","0.0005","90","","90","","90","","791.06","0.05","100","2","100","2","","","","","","","","4","P 41","P 4w","76","(C6H10)AuCl","","","- C6 H10 Au Cl -","- C6 H10 Au Cl -","- C24 H40 Au4 Cl4 -","4","1","","Jiang Wu; Peter Kroll; H. V. Rasika Dias","Gold(I) Chloride Coordinated 3-Hexyne","Inorganic Chemistry","2009","48","","423","425","10.1021/ic8020854","","","0.71073","MoKα","","0.0149","0.0145","","","0.0343","0.0345","","","","","","1.035","","","","has coordinates","179050","2020-10-21","18:00:00",""
"4302963","9.966","0.0009","9.966","0.0009","20.472","0.002","90","","90","","90","","2033.3","0.3","113","2","113","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H16 Co Na2 O10 -","- C18 H16 Co Na2 O10 -","- C72 H64 Co4 Na8 O40 -","4","1","","Jie-Peng Zhang; Sujit K. Ghosh; Jian-Bin Lin; Susumu Kitagawa","New Heterometallic Carboxylate Frameworks: Synthesis, Structure, Robustness, Flexibility, and Porosity","Inorganic Chemistry","2009","48","","7970","7976","10.1021/ic900919w","","","0.71073","MoKα","","0.0574","0.0506","","","0.1091","0.1142","","","","","","1.045","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4302964","10.0292","0.0008","10.0292","0.0008","20.808","0.002","90","","90","","90","","2093","0.3","113","2","113","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H20 Co Na2 O10 -","- C20 H20 Co Na2 O10 -","- C80 H80 Co4 Na8 O40 -","4","1","","Jie-Peng Zhang; Sujit K. Ghosh; Jian-Bin Lin; Susumu Kitagawa","New Heterometallic Carboxylate Frameworks: Synthesis, Structure, Robustness, Flexibility, and Porosity","Inorganic Chemistry","2009","48","","7970","7976","10.1021/ic900919w","","","0.71073","MoKα","","0.0498","0.0434","","","0.0929","0.0969","","","","","","1.048","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4304011","8.2546","0.0012","8.2546","0.0012","30.033","0.006","90","","90","","90","","2046.4","0.6","293","2","293","2","","","","","","","","3","P 41","P 4w","76","","","","- Br10 Fe La6 -","- Br10 Fe La6 -","- Br40 Fe4 La24 -","4","1","","Chong Zheng; Hansjürgen Mattausch; Constantin Hoch; Arndt Simon","La6Br10Fe: A La6Fe Octahedron with a Mixed M6X12/M6X8 Type Environment","Inorganic Chemistry","2008","47","","2356","2361","10.1021/ic701229q","","","0.56086","AgKα","","0.0339","0.0334","","","0.0847","0.086","","","","","","1.099","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304236","10.5356","0.0013","10.5356","0.0013","41.326","0.008","90","","90","","90","","4587.1","1.2","153","2","153","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H41 K N2 O3.5 -","- C18 H41 K N2 O3.5 -","- C144 H328 K8 N16 O28 -","8","2","","Ajay Venugopal; Raphael J. F. Berger; Alexander Willner; Tania Pape; Norbert W. Mitzel","Potassium Hydroxylamine Complexes","Inorganic Chemistry","2008","47","","4506","4512","10.1021/ic701701e","","","0.71073","MoKα","","0.1047","0.0577","","","0.1139","0.1256","","","","","","0.876","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4304595","12.6088","0.0011","12.6088","0.0011","18.18","0.003","90","","90","","90","","2890.3","0.6","373","2","373","2","","","","","","","","6","P 41","P 4w","76","","","","- C25 H46 Cl N5 Ni O6 -","- C25 H46 Cl N5 Ni O6 -","- C100 H184 Cl4 N20 Ni4 O24 -","4","1","","Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains","Inorganic Chemistry","2008","47","","2710","2718","10.1021/ic7021424","","","0.71073","MoKα","","0.0795","0.0456","","","0.0931","0.1055","","","","","","1.015","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304756","12.387","0.002","12.387","0.002","30.963","0.002","90","","90","","90","","4750.9","1.1","293","2","293","2","","","","","","","","6","P 41","P 4w","76","[ReNL1)2(PEt2PhP)2]","Bis(diethylphenylphosphine)bis(5,6-diphenyl-1,2,4-triazine-3-thionato)- nitridorhenium(V)","","- C50 H50 N7 P2 Re S2 -","- C50 H50 N7 P2 Re S2 -","- C200 H200 N28 P8 Re4 S8 -","4","1","","Elena López-Torres; Ulrich Abram","Rhenium Complexes with Triazine Derivatives Formed from Semicarbazones and Thiosemicarbazones","Inorganic Chemistry","2008","47","","2890","2896","10.1021/ic702326v","","","0.71073","MoKα","","0.0853","0.0468","","","0.0782","0.089","","","","","","0.885","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4308381","13.0143","0.0004","13.0143","0.0004","26.6298","0.0016","90","","90","","90","","4510.3","0.3","213","2","213","2","","","","","","","","5","P 41","P 4w","76","","","","- C32 H68 N4 O8 Zn4 -","- C32 H68 N4 O8 Zn4 -","- C128 H272 N16 O32 Zn16 -","4","1","","Tang, Yongjun; Kassel, W. Scott; Zakharov, Lev N.; Rheingold, Arnold L.; Kemp, Richard A.","Insertion Reactions of Carbon Dioxide into Zn‒N Bonds: Syntheses and Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes","Inorganic Chemistry","2005","44","2","359","364","10.1021/ic048830r","","","0.71073","MoKα","","0.0292","0.0262","","","0.0607","0.0617","","","","","","0.997","","","","has coordinates","210271","2020-10-21","18:00:00",""
"4308549","13.5474","0.0002","13.5474","0.0002","53.2687","0.0014","90","","90","","90","","9776.5","0.3","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C27 H63 I4 N9 O9 U -","- C27 H63 I4 N9 O9 U -","- C216 H504 I32 N72 O72 U8 -","8","2","","Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine","New Efficient Synthesis of [UI4(MeCN)4]. X-ray Crystal Structures of [UI2(MeCN)7][UI6], [UI4(py)3], and [U(dmf)9]I4","Inorganic Chemistry","2005","44","","1142","1146","10.1021/ic048603p","","","0.71073","MoKα","","0.0824","0.0692","","","0.1669","0.1803","","","","","","1.027","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4310878","10.8722","0.0002","10.8722","0.0002","8.9098","0.0002","90","","90","","90","","1053.18","0.04","293","2","293","2","","","","","","","","7","P 41","P 4w","76","3D NiSO4 with PIP","","","- C4 H14 F4 N2 Ni2 O5 S -","- C4 H14 F4 N2 Ni2 O5 S -","- C16 H56 F16 N8 Ni8 O20 S4 -","4","1","","J. N. Behera; K. V. Gopalkrishnan; C. N. R. Rao","Synthesis, Structure, and Magnetic Properties of Amine-Templated Open-Framework Nickel(II) Sulfates","Inorganic Chemistry","2004","43","","2636","2642","10.1021/ic035488u","","","0.71073","MoKα","","0.0336","0.0289","","0.0605","0.0589","","","","1.02","1.038","1.038","","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4312225","14.0285","0.0003","14.0285","0.0003","38.4236","0.0007","90","","90","","90","","7561.7","0.3","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C33 H29 Fe2 O8 P S2 -","- C31.768 H25.92 Fe2 O7.692 P S2 -","- C254.144 H207.36 Fe16 O61.536 P8 S16 -","8","2","","Richard D. Adams; Shaobin Miao","Metal Carbonyl Derivatives of Sulfur-Containing Quinones and Hydroquinones: Synthesis, Structures, and Electrochemical Properties","Inorganic Chemistry","2004","43","","8414","8426","10.1021/ic048880w","","","0.71073","MoK\α","","0.0617","0.0548","","","0.1559","0.1609","","","","","","1.055","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4313132","23.7015","0.001","23.7015","0.001","12.3989","0.0011","90","","90","","90","","6965.2","0.7","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C59 H42 Ge4 O10 Ru5 -","- C59 H42 Ge4 O10 Ru5 -","- C236 H168 Ge16 O40 Ru20 -","4","1","","Richard D. Adams; Burjor Captain; Wei Fu","Germanium-Rich Pentaruthenium Carbonyl Clusters Including Ru5(CO)11(μ-GePh2)4(μ5-C) and Its Reactions with Hydrogen","Inorganic Chemistry","2003","42","","1328","1333","10.1021/ic020655w","","","0.71073","MoKα","","0.0668","0.0467","","","0.0946","0.1101","","","","","","1.041","","","","has coordinates","179185","2020-10-21","18:00:00",""
"4313982","8.4015","0.0012","8.4015","0.0012","12.015","0.002","90","","90","","90","","848.1","0.2","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C12 H18 Cu2 N2 O10 -","- C12 H18 Cu2 N2 O10 -","- C24 H36 Cu4 N4 O20 -","2","0.5","","Tian-Fu Liu; Hao-Ling Sun; Song Gao; Shi-Wei Zhang; Tai-Chu Lau","Ferromagnetic Ordering and Metamagnetism in Malonate Bridged 3D Diamond-like and Honeycomb-like Networks: [Cu(mal)(DMF)]n and {[Cu(mal)(0.5pyz)].H2O}n (mal = Malonate Dianion, DMF =N,N-dimethylformamide, pyz = Pyrazine)","Inorganic Chemistry","2003","42","","4792","4794","10.1021/ic034346x","","","0.71073","MoKα","","0.0397","0.0306","","","0.0835","0.0909","","","","","","0.738","","","","has coordinates","179207","2020-10-21","18:00:00",""
"4314507","12.1496","0.0006","12.1496","0.0006","34.47","0.002","90","","90","","90","","5088.2","0.5","223","2","223","2","","","","","","","","7","P 41","P 4w","76","","","","- C48 H32 Cl4 In4 N8 O0 Se4 -","- C48 H32 Cl4 In4 N8 Se4 -","- C192 H128 Cl16 In16 N32 Se16 -","4","1","","Zhi-Xin Lei; Qin-Yu Zhu; Ming-Hui Zhang; Jian-Bing Jiang; Ya-Ping Zhang; Jie Dai","Indium Chalcogenido Clusters Coordinated by 1,10-Phenanthroline, [InQ(phen)Cl]4 (Q = Se, S), a Simplified Model of Inorganic-Organic Hybrid Material with Cluster-to-Ligand Charge Transfer","Inorganic Chemistry","2010","49","","353","355","10.1021/ic901143h","","","0.71075","MoKα","","0.0403","0.0372","","","0.0807","0.0831","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4316324","11.1899","0.0003","11.1899","0.0003","35.457","0.001","90","","90","","90","","4439.7","0.2","150","2","150","2","","","","","","","","7","P 41","P 4w","76","","","","- C24 H68 Li2 Mn N4 S4 Si4 -","- C24 H68 Li2 Mn N4 S4 Si4 -","- C96 H272 Li8 Mn4 N16 S16 Si16 -","4","1","","Chhatra B. Khadka; Daniel G. Macdonald; Yanhua Lan; Annie K. Powell; Dieter Fenske; John F. Corrigan","Trimethylsilylchalcogenolates of Co(II) and Mn(II): From Mononuclear Coordination Complexes to Clusters Containing -ESiMe3 Moieties (E = S, Se)","Inorganic Chemistry","2010","49","","7289","7297","10.1021/ic902346u","","","0.71073","MoKα","","0.0466","0.0398","","","0.0904","0.0943","","","","","","1.03","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4317068","12.1116","0.0005","12.1116","0.0005","14.0454","0.0011","90","","90","","90","","2060.3","0.2","173","2","173","2","","","","","","","","5","P 41","P 4w","76","","N,N'-(1,7-Dicarba-closo-dodecaboran-9,10-diyl) dibenzamide","","- C16 H22 B10 N2 O2 -","- C16 H22 B10 N2 O2 -","- C64 H88 B40 N8 O8 -","4","1","","Yulia Sevryugina; Richard L. Julius; M. Frederick Hawthorne","Novel Approach to Aminocarboranes by Mild Amidation of Selected Iodo-carboranes","Inorganic Chemistry","2010","49","","10627","10634","10.1021/ic101620h","","","0.71073","MoKα","","0.0405","0.035","","","0.0801","0.0821","","","","","","1.172","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317488","16.5975","0.0008","16.5975","0.0008","18.8733","0.0012","90","","90","","90","","5199.2","0.5","203","2","203","2","","","","","","","","7","P 41","P 4w","76","","","","- C44 H20 F28 Fe2 N6 Ni O12 -","- C44 H20 F24 Fe2 N6 Ni O12 -","- C176 H80 F96 Fe8 N24 Ni4 O48 -","4","1","","Asako Kamiyama; Tomoko Noguchi; Takashi Kajiwara; Tasuku Ito","Syntheses, Structures, and Properties of Trinuclear Complexes [M(bpca)2{M'(hfac)2}2], Constructed with the Complexed Bridging Ligand [M(bpca)2] [M, M' = Ni(II), Mn(II); Cu(II), Mn(II); Fe(II), Mn(II); Ni(II), Fe(II); and Fe(II), Fe(II); Hbpca = Bis(2-pyridylcarbonyl)amine, Hhfac = Hexafluoroacetylacetone]","Inorganic Chemistry","2002","41","","507","512","10.1021/ic010731f","","","0.71073","MoKα","","0.11","0.0635","","","0.1496","0.1765","","","","","","0.961","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4317489","16.5136","0.0007","16.5136","0.0007","18.5718","0.0011","90","","90","","90","","5064.5","0.4","183","2","183","2","","","","","","","","6","P 41","P 4w","76","","","","- C44 H20 F24 Fe3 N6 O12 -","- C44 H20 F24 Fe3 N6 O12 -","- C176 H80 F96 Fe12 N24 O48 -","4","1","","Asako Kamiyama; Tomoko Noguchi; Takashi Kajiwara; Tasuku Ito","Syntheses, Structures, and Properties of Trinuclear Complexes [M(bpca)2{M'(hfac)2}2], Constructed with the Complexed Bridging Ligand [M(bpca)2] [M, M' = Ni(II), Mn(II); Cu(II), Mn(II); Fe(II), Mn(II); Ni(II), Fe(II); and Fe(II), Fe(II); Hbpca = Bis(2-pyridylcarbonyl)amine, Hhfac = Hexafluoroacetylacetone]","Inorganic Chemistry","2002","41","","507","512","10.1021/ic010731f","","","0.71073","MoKα","","0.0609","0.0415","","","0.102","0.1119","","","","","","1.042","","","","has coordinates","179254","2020-10-21","18:00:00",""
"4318924","8.6095","0.0003","8.6095","0.0003","22.2176","0.0011","90","","90","","90","","1646.85","0.12","86","2","86","2","","","","","","","","6","P 41","P 4w","76","","","","- C15 H13 Br N3 O3 Re -","- C15 H13 Br N3 O3 Re -","- C60 H52 Br4 N12 O12 Re4 -","4","1","","Sangeeta Ray Banerjee; Murali K. Levadala; Neva Lazarova; Lihui Wei; John F. Valliant; Karin A. Stephenson; John W. Babich; Kevin P. Maresca; Jon Zubieta","Bifunctional Single Amino Acid Chelates for Labeling of Biomolecules with the {Tc(CO)3}+ and {Re(CO)3}+ Cores. Crystal and Molecular Structures of [ReBr(CO)3(H2NCH2C5H4N)], [Re(CO)3{(C5H4NCH2)2NH}]Br, [Re(CO)3{(C5H4NCH2)2NCH2CO2H}]Br, [Re(CO)3{X(Y)NCH2CO2CH2CH3}]Br (X = Y = 2-pyridylmethyl; X = 2-pyridylmethyl, Y = 2-(1-methylimidazolyl)methyl; X = Y = 2-(1-methylimidazolyl)methyl), [ReBr(CO)3{(C5H4NCH2)NH(CH2C4H3S)}], and [Re(CO)3{(C5H4NCH2)N(CH2C4H3S)(CH2CO2)}]","Inorganic Chemistry","2002","41","","6417","6425","10.1021/ic020476e","","","0.71073","MoKα","","0.0253","0.025","","","0.0591","0.0592","","","","","","1.056","","","","has coordinates","179269","2020-10-21","18:00:00",""
"4320160","12.8979","0.0012","12.8979","","13.456","0.002","90","","90","","90","","2238.5","0.4","294.2","","294.2","","","","","","","","","8","P 41","P 4w","76","","","","- C18 H24 Br0.29 Cl0.71 N2 O5 P2 Re -","- C18 H24 Br0.289 Cl0.711 N2 O5 P2 Re -","- C72 H96 Br1.156 Cl2.844 N8 O20 P8 Re4 -","4","1","","Liang Xu; Mark P. Lowe; Steven J. Rettig; Chris Orvig","[ReO(N2O2)X] Complexes: ""4 + 1""?","Inorganic Chemistry","2001","40","","4623","4626","10.1021/ic001416g","","","0.7107","MoKα","","0.1203","0.0317","","0.0316","","0.026","","","1.199","","","1.31","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322130","10.9","0.001","10.9","0.001","10.997","0.001","90","","90","","90","","1306.6","0.2","173","2","173","2","","","","","","","","5","P 41","P 4w","76","","bis-triflouroacetato-tricarbonyl-aquo-ruthenium(II)","","- C7 H2 F6 O8 Ru -","- C7 H2 F6 O8 Ru -","- C28 H8 F24 O32 Ru4 -","4","1","","Tiziana Funaioli; Claudia Cavazza; Fabio Marchetti; Giuseppe Fachinetti","Aqueous Organometallic Chemistry of Ruthenium(II). Aquo Carbonyl Derivatives and Related Ethene Hydrocarboxylation in Fully Aqueous Solvent","Inorganic Chemistry","1999","38","","3361","3368","10.1021/ic981429i","","","0.71073","MoKα","","0.0458","0.0424","","0.1156","0.1127","","","","1.033","1.051","1.051","","","","","has coordinates,has disorder","179324","2020-10-21","18:00:00",""
"4325897","19.1568","0.0008","19.1568","0.0008","18.3956","0.001","90","","90","","90","","6750.9","0.5","133","2","133","2","","","","","","","","6","P 41","P 4w","76","","","","- C45 H60 Cu5 N13 O19 Tm -","- C45 H50 Cu5 N13 O29.5 Tm -","- C180 H200 Cu20 N52 O118 Tm4 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0415","0.0351","","","0.098","0.1038","","","","","","1.097","","","","has coordinates,has disorder","179361","2020-10-21","18:00:00",""
"4325909","19.31","0.002","19.31","0.002","18.33","0.003","90","","90","","90","","6834.8","1.5","133","2","133","2","","","","","","","","6","P 41","P 4w","76","","","","- C45 H67 Cu5 N12 O25 Sm -","- C45 H50 Cu5 N12 O24 Sm -","- C180 H200 Cu20 N48 O96 Sm4 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0656","0.056","","","0.1543","0.1622","","","","","","1.061","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325912","19.2559","0.0012","19.2559","0.0012","18.367","0.002","90","","90","","90","","6810.3","1","118","2","118","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H75 Cu5 Eu N12 O28 -","- C46 H52 Cu5 Eu N12 O28 -","- C184 H208 Cu20 Eu4 N48 O112 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0471","0.0424","","","0.1143","0.1174","","","","","","1.085","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325913","19.246","0.0017","19.246","0.0017","18.373","0.003","90","","90","","90","","6805.5","1.4","118","2","118","2","","","","","","","","6","P 41","P 4w","76","","","","- C45 H62 Cu5 Gd N13 O29 -","- C45 H50 Cu5 Gd N13 O28.5 -","- C180 H200 Cu20 Gd4 N52 O114 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0489","0.0439","","","0.1326","0.1371","","","","","","1.124","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4325915","19.2036","0.0014","19.2036","0.0014","18.33","0.003","90","","90","","90","","6759.7","1.3","118","2","118","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H73 Cu5 Dy N12 O27 -","- C46 H53 Cu5 Dy N12 O33 -","- C184 H212 Cu20 Dy4 N48 O132 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0354","0.0317","","","0.09","0.0924","","","","","","1.117","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4325916","19.244","0.002","19.244","0.002","18.344","0.003","90","","90","","90","","6793.4","1.5","158","2","158","2","","","","","","","","6","P 41","P 4w","76","","","","- C45 H67 Cu5 Ho N12 O25 -","- C45 H50 Cu5 Ho N12 O26 -","- C180 H200 Cu20 Ho4 N48 O104 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0577","0.0497","","","0.1286","0.1351","","","","","","1.105","","","","has coordinates","179362","2020-10-21","18:00:00",""
"4326324","9.848","0.0002","9.848","0.0002","35.0588","0.0014","90","","90","","90","","3400.11","0.17","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C74 H81 In2 N5 O26 -","- C66.746 H51.074 In2 N2.582 O18.582 -","- C133.492 H102.148 In4 N5.164 O37.164 -","2","0.5","","Sihai Yang; Gregory S. B. Martin; Jeremy J. Titman; Alexander J. Blake; David R. Allan; Neil R. Champness; Martin Schröder","Pore with Gate: Enhancement of the Isosteric Heat of Adsorption of Dihydrogen via Postsynthetic Cation Exchange in Metal-Organic Frameworks","Inorganic Chemistry","2011","50","","9374","9384","10.1021/ic200967b","","","0.6939","synchrotron","","0.0409","0.0396","","","0.0965","0.0974","","","","","","1.057","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4328360","12.2996","0.0003","12.2996","0.0003","7.9073","0.0003","90","","90","","90","","1196.22","0.06","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H9 Cu N8 O1.5 -","- C6 H8 Cu N8 O1.5 -","- C24 H32 Cu4 N32 O6 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0471","0.0406","","","0.1021","0.1045","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4328362","12.3857","0.0003","12.3857","0.0003","7.8956","0.0003","90","","90","","90","","1211.23","0.06","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0709","0.0629","","","0.1881","0.1974","","","","","","1.106","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328363","12.3919","0.0003","12.3919","0.0003","7.9043","0.0003","90","","90","","90","","1213.78","0.06","120","2","120","2","","","","","","","","6","P 41","P 4w","76","","","","- C6 H8 Cu I N8 O -","- C6 H8 Cu I N8 O -","- C24 H32 Cu4 I4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0828","0.0775","","","0.1988","0.2035","","","","","","1.071","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328365","12.3879","0.0003","12.3879","0.0003","7.9323","0.0003","90","","90","","90","","1217.29","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0441","0.0401","","","0.1188","0.1205","","","","","","1.124","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328366","12.3684","0.0002","12.3684","0.0002","7.9094","0.0002","90","","90","","90","","1209.96","0.04","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0419","0.0376","","","0.1342","0.1361","","","","","","1.169","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328367","12.3965","0.0003","12.3965","0.0003","7.9197","0.0003","90","","90","","90","","1217.05","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.045","0.0395","","","0.1245","0.1262","","","","","","1.12","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328368","12.3933","0.0003","12.3933","0.0003","7.9318","0.0003","90","","90","","90","","1218.28","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0599","0.0486","","","0.1414","0.1454","","","","","","1.115","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328369","12.3494","0.0016","12.3494","0.0016","7.9086","0.001","90","","90","","90","","1206.1","0.3","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.0929","0.0723","","","0.1408","0.1486","","","","","","1.137","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328370","12.414","0.004","12.414","0.004","7.944","0.003","90","","90","","90","","1224.2","0.7","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C6 H8 Cu N8 O -","- C6 H8 Cu N8 O -","- C24 H32 Cu4 N32 O4 -","4","1","","Ping Cui; Lijun Ren; Zhi Chen; Huancheng Hu; Bin Zhao; Wei Shi; Peng Cheng","Temperature-Controlled Chiral and Achiral Copper Tetrazolate Metal-Organic Frameworks: Syntheses, Structures, and I2 Adsorption","Inorganic Chemistry","2012","51","","2303","2310","10.1021/ic2023105","","","0.71073","MoKα","","0.1573","0.0993","","","0.1808","0.2069","","","","","","0.981","","","","has coordinates","179386","2020-10-21","18:00:00",""
"4328436","7.528","0.0003","7.528","0.0003","21.1968","0.0015","90","","90","","90","","1201.24","0.11","173","2","173","2","","","","","","","","4","P 41","P 4w","76","","3,10-diiodo-1,2-dicarba-closo-dodecaborane(10)","","- C2 H10 B10 I2 -","- C2 H10 B10 I2 -","- C8 H40 B40 I8 -","4","1","","Alexander V. Safronov; Yulia V. Sevryugina; Satish S. Jalisatgi; Robert D. Kennedy; Charles L. Barnes; M. Frederick Hawthorne","Unfairly Forgotten Member of the Iodocarborane Family: Synthesis and Structural Characterization of 8-Iodo-1,2-dicarba-closo-dodecaborane, Its Precursors, and Derivatives.","Inorganic Chemistry","2012","51","","2629","2637","10.1021/ic2025846","","","0.71073","Mo-Kα","","0.0217","0.0206","","","0.0506","0.0516","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4328617","16.2447","0.0004","16.2447","0.0004","21.5187","0.0009","90","","90","","90","","5678.6","0.3","250","","250","","","","","","","","","6","P 41","P 4w","76","","","","- C80 H38 Cd I N6 S4 -","- C80 H38 Cd I N6 S4 -","- C320 H152 Cd4 I4 N24 S16 -","4","1","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-}","Inorganic Chemistry","2012","51","","3420","3426","10.1021/ic201732t","","","0.7107","MoKα","","0.078","0.0482","","","0.1089","0.124","","","","","","1.016","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328618","16.096","0.0003","16.096","0.0003","21.3845","0.0006","90","","90","","90","","5540.3","0.2","90.3","0.3","90.3","0.3","","","","","","","","6","P 41","P 4w","76","","","","- C80 H38 Cd I N6 S4 -","- C80 H38 Cd I N6 S4 -","- C320 H152 Cd4 I4 N24 S16 -","4","1","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-}","Inorganic Chemistry","2012","51","","3420","3426","10.1021/ic201732t","","","0.7107","MoKα","","0.0385","0.0358","","","0.0782","0.0796","","","","","","1.037","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328619","16.1224","0.0003","16.1224","0.0003","21.3629","0.0006","90","","90","","90","","5552.9","0.2","95","0.1","95","0.1","","","","","","","","6","P 41","P 4w","76","","","","- C80 H38 Cd I N6 S4 -","- C80 H38 Cd I N6 S4 -","- C320 H152 Cd4 I4 N24 S16 -","4","1","","Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Effect of the Cooling Rate on Dimerization of C60.- in Fullerene Salt (DMI+)2.(C60.-).{Cd(Et2NCS2)2I-}","Inorganic Chemistry","2012","51","","3420","3426","10.1021/ic201732t","","","0.7107","MoKα","","0.0339","0.0313","","","0.0731","0.0748","","","","","","1.021","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328678","12.3886","0.0014","12.3886","0.0014","48.243","0.006","90","","90","","90","","7404.2","1.5","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C34 H28 Cr F12 N8 P2 -","- C34 H28 Cr F12 N8 P2 -","- C272 H224 Cr8 F96 N64 P16 -","8","2","","Christopher C. Scarborough; Kyle M. Lancaster; Serena DeBeer; Thomas Weyhermüller; Stephen Sproules; Karl Wieghardt","Experimental Fingerprints for Redox-Active Terpyridine in [Cr(tpy)2](PF6)n (n = 3-0), and the Remarkable Electronic Structure of [Cr(tpy)2]1-","Inorganic Chemistry","2012","51","","3718","3732","10.1021/ic2027219","","","0.71073","MoKα","","0.0997","0.0571","","","0.0981","0.1147","","","","","","1.072","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328973","12.2986","0.0017","12.2986","0.0017","5.2444","0.001","90","","90","","90","","793.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C5 H8 N Ni O5.5 S -","- C5 H7 N Ni O5.5 S -","- C20 H28 N4 Ni4 O22 S4 -","4","1","","Yan-Yan Yin; Jian-Gong Ma; Zheng Niu; Xiao-Chang Cao; Wei Shi; Peng Cheng","Chiral Ni(II) Coordination Polymers: Structure-Driven Effects of Temperature and Polyvinylpyrrolidone","Inorganic Chemistry","2012","51","","4784","4790","10.1021/ic300106k","","","0.71073","MoKα","","0.0271","0.0247","","","0.0551","0.0559","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330046","15.394","0.002","15.394","0.002","12.146","0.002","90","","90","","90","","2878.3","0.7","153","2","153","2","","","","","","","","6","P 41","P 4w","76","","","","- C26 H29 Fe N3 Ni S2 -","- C26 H29 Fe N3 Ni S2 -","- C104 H116 Fe4 N12 Ni4 S8 -","4","1","","Rakesh Kumar Gupta; Rampal Pandey; Roopshikha Singh; Nitin Srivastava; Biswajit Maiti; Satyen Saha; Peizhou Li; Qiang Xu; Daya Shankar Pandey","Heteroleptic Dipyrrinato Complexes Containing 5-Ferrocenyldipyrromethene and Dithiocarbamates as Coligands: Selective Chromogenic and Redox Probes","Inorganic Chemistry","2012","51","","8916","8930","10.1021/ic300900m","","","0.71073","MoKα","","0.0554","0.0399","","","0.0985","0.1072","","","","","","1.076","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330048","15.4391","0.0001","15.4391","0.0001","12.1843","0.0002","90","","90","","90","","2904.32","0.05","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C26 H29 Fe N3 Pd S2 -","- C26 H29 Fe N3 Pd S2 -","- C104 H116 Fe4 N12 Pd4 S8 -","4","1","","Rakesh Kumar Gupta; Rampal Pandey; Roopshikha Singh; Nitin Srivastava; Biswajit Maiti; Satyen Saha; Peizhou Li; Qiang Xu; Daya Shankar Pandey","Heteroleptic Dipyrrinato Complexes Containing 5-Ferrocenyldipyrromethene and Dithiocarbamates as Coligands: Selective Chromogenic and Redox Probes","Inorganic Chemistry","2012","51","","8916","8930","10.1021/ic300900m","","","0.71073","MoKα","","0.0334","0.0287","","","0.0811","0.0844","","","","","","1.158","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331355","7.0078","0.0003","7.0078","0.0003","11.8399","0.0008","90","","90","","90","","581.45","0.05","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C H3 La O7 S -","- C H3 La O7 S -","- C4 H12 La4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0154","0.0151","","","0.0323","0.0324","","","","","","1.066","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331356","6.9951","0.0003","6.9951","0.0003","11.7739","0.001","90","","90","","90","","576.11","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C H3 Ce O7 S -","- C H3 Ce O7 S -","- C4 H12 Ce4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0144","0.0143","","","0.0336","0.0337","","","","","","1.044","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331357","6.9706","0.0003","6.9706","0.0003","11.6921","0.001","90","","90","","90","","568.11","0.06","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C H3 Nd O7 S -","- C H3 Nd O7 S -","- C4 H12 Nd4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0155","0.0154","","","0.0355","0.0355","","","","","","1.13","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331358","6.913","0.0005","6.913","0.0005","11.5956","0.0018","90","","90","","90","","554.15","0.1","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C H3 Eu O7 S -","- C H3 Eu O7 S -","- C4 H12 Eu4 O28 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.0164","0.0163","","","0.0388","0.0389","","","","","","1.045","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4331384","6.9876","0.0004","6.9876","0.0004","11.7374","0.0015","90","","90","","90","","573.1","0.09","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C H3 O7 Pr S -","- C H3 O7 Pr S -","- C4 H12 O28 Pr4 S4 -","4","1","","Weiwei Ju; Deng Zhang; Dunru Zhu; Yan Xu","l- and d-[Ln(HCO2)(SO4)(H2O)]n (Ln = La, Ce, Pr, Nd, and Eu): Chiral Enantiomerically 3D Architectures Constructed by Double -[Ln-O]n- Helices","Inorganic Chemistry","2012","51","","13373","13379","10.1021/ic302134m","","","0.71073","MoKα","","0.017","0.0169","","","0.0414","0.0415","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4332255","12.4643","0.0003","12.4643","0.0003","18.7577","0.0005","90","","90","","90","","2914.17","0.13","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H37 N3 O17 P3 Tb -","- C18 H37 N3 O17 P3 Tb -","- C72 H148 N12 O68 P12 Tb4 -","4","1","","Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng","Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties","Inorganic Chemistry","2006","45","11","4431","4439","10.1021/ic060162h","","","0.71073","MoKα","","0.0513","0.0394","","","0.0625","0.066","","","","","","0.953","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332256","12.4486","0.0003","12.4486","0.0003","18.7626","0.0005","90","","90","","90","","2907.6","0.13","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H37 Dy N3 O17 P3 -","- C18 H37 Dy N3 O17 P3 -","- C72 H148 Dy4 N12 O68 P12 -","4","1","","Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng","Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties","Inorganic Chemistry","2006","45","11","4431","4439","10.1021/ic060162h","","","0.71073","MoKα","","0.0372","0.0302","","","0.0558","0.0583","","","","","","1.001","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332257","12.4799","0.0003","12.4799","0.0003","18.8239","0.0005","90","","90","","90","","2931.78","0.13","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H37 Eu N3 O17 P3 -","- C18 H37 Eu N3 O17 P3 -","- C72 H148 Eu4 N12 O68 P12 -","4","1","","Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng","Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties","Inorganic Chemistry","2006","45","11","4431","4439","10.1021/ic060162h","","","0.71073","MoKα","","0.0294","0.0245","","","0.0526","0.055","","","","","","1.044","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332258","12.4877","0.0018","12.4877","0.0018","18.824","0.004","90","","90","","90","","2935.5","0.9","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C18 H37 Gd N3 O17 P3 -","- C18 H37 Gd N3 O17 P3 -","- C72 H148 Gd4 N12 O68 P12 -","4","1","","Yue, Qi; Yang, Jin; Li, Guang-Hua; Li, Guo-Dong; Chen, Jie-Sheng","Homochiral Porous Lanthanide Phosphonates with 1D Triple-Strand Helical Chains: Synthesis, Photoluminescence, and Adsorption Properties","Inorganic Chemistry","2006","45","11","4431","4439","10.1021/ic060162h","","","0.71073","MoKα","","0.0396","0.0326","","","0.0587","0.0619","","","","","","1.09","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332400","9.151","0.002","9.151","0.002","13.023","0.005","90","","90","","90","","1090.6","0.5","243","2","243","2","","","","","","","","6","P 41","P 4w","76","Li(C7H8N4)ClO4","Lithium(bisimidazole)perchlorate","","- C7 H8 Cl Li N4 O4 -","- C7 H8 Cl Li N4 O4 -","- C28 H32 Cl4 Li4 N16 O16 -","4","1","","Hwang, In-Chul; Chandran, R. Prakash; Singh, N. Jiten; Khandelwal, Manish; Thangadurai, T. Daniel; Lee, Jung-Woo; Chang, Jeong Ah; Kim, Kwang S.","Organic−Inorganic Hybrid Compounds of Li with Bisimidazole Derivatives: Li Ion Binding Study and Topochemical Properties","Inorganic Chemistry","2006","45","20","8062","8069","10.1021/ic060323h","","","0.71073","MoKα","","0.0727","0.0562","","","0.1454","0.1544","","","","","","0.98","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4335251","10.6642","0.001","10.6642","0.001","23.998","0.005","90","","90","","90","","2729.2","0.7","273","2","273","2","","","","","","","","6","P 41","P 4w","76","","","","- C30 H23 Cu N2 Na O8 -","- C30 H23 Cu N2 Na O8 -","- C120 H92 Cu4 N8 Na4 O32 -","4","1","","Qing-Yan Liu; Wei-Lu Xiong; Cai-Ming Liu; Yu-Ling Wang; Jia-Jia Wei; Zuo-Juan Xiahou; Li-Hua Xiong","Chiral Induction in the Ionothermal Synthesis of a 3D Chiral Heterometallic Metal-Organic Framework Constructed from Achiral 1,4-Naphthalenedicarboxylate","Inorganic Chemistry","2013","52","","6773","6775","10.1021/ic400853r","","","0.71073","MoKα","","0.0494","0.0375","","","0.0749","0.0804","","","","","","1.011","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4337530","8.3845","0.0002","8.3845","0.0002","19.2943","0.0011","90","","90","","90","","1356.39","0.09","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C11 H8 Cl Cu N5 O5 -","- C11 H8 Cl Cu N5 O5 -","- C44 H32 Cl4 Cu4 N20 O20 -","4","1","","Huang, Wei; Jin, Yuchao; Wu, Dayu; Wu, Genhua","Anion-tunable configuration isomerism and magnetic coupling in a tetranuclear discrete, one-dimensional (1D) chiral chain and 1D-decker copper(II) complexes of a carbohydrazine derivative.","Inorganic chemistry","2014","53","1","73","79","10.1021/ic4014027","","","0.71073","MoKα","","0.1021","0.0865","","","0.2277","0.2415","","","","","","1.072","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4341038","10.73","0.005","10.73","0.005","22.813","0.005","90","","90","","90","","2626.5","1.8","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H44 Co N O2 P2 -","- C24 H44 Co N O2 P2 -","- C96 H176 Co4 N4 O8 P8 -","4","1","","Scheuermann, Margaret L.; Semproni, Scott P.; Pappas, Iraklis; Chirik, Paul J.","Carbon dioxide hydrosilylation promoted by cobalt pincer complexes.","Inorganic chemistry","2014","53","18","9463","9465","10.1021/ic501901n","","","0.71073","MoKα","","0.0198","0.0194","","","0.0432","0.0434","","","","","","0.969","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4342560","13.0696","0.0003","13.0696","0.0003","11.2867","0.0005","90","","90","","90","","1927.93","0.11","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C17 H14 Mn2 N0 O10 -","- C17 H12 Mn2 O10 -","- C68 H48 Mn8 O40 -","4","1","","Tian, Chong-Bin; He, Chao; Han, Yun-Hu; Wei, Qi; Li, Qi-Peng; Lin, Ping; Du, Shao-Wu","Four New Mn(II) Inorganic-Organic Hybrid Frameworks with Diverse Inorganic Magnetic Chain's Sequences: Syntheses, Structures, Magnetic, NLO, and Dielectric Properties.","Inorganic chemistry","2015","54","6","2560","2571","10.1021/ic502664e","","","0.71073","MoKα","","0.048","0.0455","","","0.1278","0.1301","","","","","","1.012","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4343042","12.1822","0.0009","12.1822","0.0009","15.117","0.0008","90","","90","","90","","2243.5","0.3","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0672","0.0535","","","0.0962","0.1045","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343045","12.1807","0.0003","12.1807","0.0003","15.0545","0.0004","90","","90","","90","","2233.63","0.1","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0345","0.0325","","","0.0664","0.0677","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343046","12.1584","0.0005","12.1584","0.0005","15.0541","0.0007","90","","90","","90","","2225.4","0.17","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H16 N3 O9 Tb Zn -","- C24 H16 N3 O9 Tb Zn -","- C96 H64 N12 O36 Tb4 Zn4 -","4","1","","Wu, Zhi-Lei; Dong, Jie; Ni, Wei-Yan; Zhang, Bo-Wen; Cui, Jian-Zhong; Zhao, Bin","Unique Chiral Interpenetrating d-f Heterometallic MOFs as Luminescent Sensors.","Inorganic chemistry","2015","54","11","5266","5272","10.1021/acs.inorgchem.5b00240","","","0.71073","MoKα","","0.0315","0.0302","","","0.0663","0.0672","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4345584","15.0708","0.00003","15.0708","0.00003","12.09666","0.00005","90","","90","","90","","2747.5","0.014","120","1","120","1","","","","","","","","6","P 41","P 4w","76","","","","- C28 H38 F N3 Ni O2 -","- C28 H38 F N3 Ni O2 -","- C112 H152 F4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","1.54184","CuKα","","0.0161","0.0161","","","0.0441","0.0441","","","","","","1.028","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4346213","12.3849","0.0002","12.3849","0.0002","50.5057","0.001","90","","90","","90","","7746.9","0.2","153","2","153","2","","","","","","","","6","P 41","P 4w","76","","","","- C79 H74 Cl2 F12 P10 Pd2 -","- C79 H74 Cl2 F12 P10 Pd2 -","- C316 H296 Cl8 F48 P40 Pd8 -","4","1","","Tanase, Tomoaki; Hatada, Satoko; Noda, Sayo; Takenaka, Hiroe; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Stepwise Expansion of Pd Chains from Binuclear Palladium(I) Complexes Supported by Tetraphosphine Ligands.","Inorganic chemistry","2015","54","17","8298","8309","10.1021/acs.inorgchem.5b00950","","","0.7107","MoKα","","","0.0402","","","","0.0963","","","","","","1.054","","","","has coordinates","231662","2020-10-21","18:00:00",""
"4349507","17.4551","0.0013","17.4551","0.0011","44.281","0.003","90","0.005","90","0.005","90","0.005","13491.6","1.6","123","2","123","2","","","","","","","","6","P 41","P 4w","76","","","","- C81 H80 Ag B N2 P2 -","- C81 H80 Ag B N2 P2 -","- C648 H640 Ag8 B8 N16 P16 -","8","2","","Kakizoe, Daichi; Nishikawa, Michihiro; Degawa, Taku; Tsubomura, Taro","Intense blue emission and a reversible hypsochromic shift of luminescence caused by grinding based on silver(i) complexes","Inorganic Chemistry Frontiers","2016","3","11","1381","","10.1039/C6QI00254D","","","0.7107","MoKα","","0.0573","0.0493","","","","0.1048","","","","","","1.063","","","","has coordinates","234836","2020-10-21","18:00:00",""
"4350151","14.59","0.0004","14.59","0.0004","25.406","0.0007","90","","90","","90","","5408.1","0.3","110","2","110","2","","","","","","","","5","P 41","P 4w","76","","","","- C54 H87 N O4 Zr -","- C54 H75 N O4 Zr -","- C216 H300 N4 O16 Zr4 -","4","1","","Gendler, Shimrit; Segal, Sharon; Goldberg, Israel; Goldschmidt, Zeev; Kol, Moshe","Titanium and zirconium complexes of dianionic and trianionic amine-phenolate-type ligands in catalysis of lactide polymerization.","Inorganic chemistry","2006","45","12","4783","4790","10.1021/ic052120j","","","0.71073","MoKα","","0.1106","0.0837","","","0.2066","0.2296","","","","","","0.993","","","","has coordinates","239765","2020-10-21","18:00:00",""
"4350700","10.96149","0.00016","10.96149","0.00016","32.7396","0.0008","90","","90","","90","","3933.8","0.13","150","0.1","150","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C33 H60 Co N4 Si4 -","- C33 H60 Co N4 Si4 -","- C132 H240 Co4 N16 Si16 -","4","1","","Day, Benjamin M.; Pal, Kuntal; Pugh, Thomas; Tuck, Jessica; Layfield, Richard A.","Carbene rearrangements in three-coordinate N-heterocyclic carbene complexes of cobalt(II) bis(trimethylsilyl)amide.","Inorganic chemistry","2014","53","19","10578","10584","10.1021/ic501677k","","","0.71073","MoKα","","0.0584","0.0458","","","0.0732","0.0789","","","","","","1.014","","","","has coordinates","239990","2020-10-21","18:00:00",""
"4500412","12.352","0.002","12.352","0.002","18.238","0.006","90","","90","","90","","2782.6","1.1","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H48 Cl N5 Ni O6 -","- C22 H48 Cl N5 Ni O6 -","- C88 H192 Cl4 N20 Ni4 O24 -","4","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.1027","0.0496","","","0.0891","0.1064","","","","","","0.992","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4502028","9.161","0.002","9.161","0.002","23.388","0.007","90","","90","","90","","1962.8","0.8","294","","","","","","","","","","","3","P 41","P 4w","76","","","","- C10 H18 O2 -","- C10 H19 O2 -","- C80 H152 O16 -","8","2","","Chan, Isa Y. H.; Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","The Design of “Awkward” Molecules Expected to Yield Multiple Crystal Forms30†","Crystal Growth & Design","2010","10","10","4582","","10.1021/cg100883s","","x-ray","0.71073","MoKα","","","0.062","","","","0.071","","","","","","1.26","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502075","10.126","0.002","10.126","0.002","35.649","0.002","90","","90","","90","","3655.3","1","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C36 H28 N8 O16 Zr -","- C36 H28 N8 O16 Zr -","- C144 H112 N32 O64 Zr4 -","4","1","","Mouchaham, Georges; Roques, Nans; Imaz, Inhar; Duhayon, Carine; Sutter, Jean-Pascal","Driving the Assembling of Zirconium Tetraoxalate Metallotectons and Benzimidazolium Cations: From Three Dimensional Hydrogen-Bonded Compact Architectures to Open-Frameworks","Crystal Growth & Design","2010","10","11","4906","","10.1021/cg1009785","","","0.751","synchrotron","","0.0244","0.0241","","","0.0651","0.0654","","","","","","0.99","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4503764","12.599","0.007","12.599","0.007","25.48","0.03","90","","90","","90","","4045","6","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C30 H51 Br7 Cu4 N3 O2 -","- C30 H51 Br7 Cu4 N3 O2 -","- C120 H204 Br28 Cu16 N12 O8 -","4","1","","Ye, Qiong; Hang, Tian; Fu, Da-Wei; Xu, Guang-Hai; Xiong, Ren-Gen","Typical Ferroelectric Olefin-copper(I) Organometallic Oligmer with Flexible Organic Ligand","Crystal Growth & Design","2008","8","10","3501","","10.1021/cg8004129","","","0.71073","MoKα","","0.123","0.0874","","","0.2409","0.2734","","","","","","1.066","","","","has coordinates","179572","2020-10-21","18:00:00",""
"4503803","5.723","0.0003","5.723","0.0003","30.923","0.002","90","","90","","90","","1012.81","0.1","130","2","130","2","","","","","","","","3","P 41","P 4w","76","dihyanthraquin_P41_LT","dihyanthraquin_P41_LT","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.7107","MoKα","","0.0977","0.0676","","","0.1642","0.1799","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503804","5.746","0.003","5.746","0.003","31.39","0.05","90","","90","","90","","1036.4","1.8","293","2","293","2","","","","","","","","3","P 41","P 4w","76","dihyanthraquin_P41_RT-Polymorph1","dihyanthraquin_P41_RT-Polymorph1","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.71073","MoKα","","0.1272","0.0647","","","0.1622","0.1962","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503809","5.714","0.0016","5.714","0.0016","30.845","0.014","90","","90","","90","","1007.1","0.6","130","2","130","2","","","","","","","","3","P 41","P 4w","76","dihyanthraquin_P41_LT-Polymorph5","dihyanthraquin_P41_LT-Polymorph5","","- C14 H8 O4 -","- C14 H8 O4 -","- C56 H32 O16 -","4","1","","Rohl, Andrew L.; Moret, Massimo; Kaminsky, Werner; Claborn, Kacey; McKinnon, Joshua J.; Kahr, Bart","Hirshfeld Surfaces Identify Inadequacies in Computations of Intermolecular Interactions in Crystals: Pentamorphic 1,8-Dihydroxyanthraquinone","Crystal Growth & Design","2008","8","12","4517","","10.1021/cg8005212","","","0.71073","MoKα","","0.1788","0.1018","","","0.2093","0.2408","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505306","11.5419","0.0005","11.5419","0.0005","69.338","0.004","90","","90","","90","","9236.9","0.8","296.2","","","","","","","","","","","3","P 41","P 4w","76","","","","- C100 H168 O20 -","- C100 H168 O20 -","- C400 H672 O80 -","4","1","","Kato, Kazuaki; Sugahara, Michihiro; Tohnai, Norimitsu; Sada, Kazuki; Miyata, Mikiji","Systematic Structural Study of Asymmetric Supramolecular Assembly by a Series of Bile Acid Derivatives with Different Side-Chain Lengths","Crystal Growth & Design","2004","4","2","263","","10.1021/cg0341499","","","1.5418","CuKα","","","0.1715","","","","0.4185","","","","","","4.831","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505882","19.9715","0.0017","19.9715","0.0017","5.4372","0.0006","90","","90","","90","","2168.7","0.4","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Rajbongshi, Basanta Kumar; Nair, Nisanth N.; Nethaji, M.; Ramanathan, Gurunath","Segregation into Chiral Enantiomeric Conformations of an Achiral Molecule by Concomitant Polymorphism","Crystal Growth & Design","2012","12","4","1823","","10.1021/cg201313g","","","0.71073","MoKα","","0.0874","0.058","","","0.1202","0.1537","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4508915","10.0247","0.0002","10.0247","0.0002","29.1741","0.0005","90","","90","","90","","2931.84","0.1","183","2","183","2","","","","","","","","6","P 41","P 4w","76","","","","- C29 H28 Fe N7 O5 S -","- C29 H28 Fe N7 O5 S -","- C116 H112 Fe4 N28 O20 S4 -","4","1","","Roth, Arne; Koth, Daniel; Gottschaldt, Michael; Plass, Winfried","An Inorganic Thymidine Helix: Design of Homochiral Helical Arrays","Crystal Growth & Design","2006","6","12","2655","","10.1021/cg060545q","","","0.71073","MoKα","","0.0659","0.0427","","","0.0798","0.0882","","","","","","1.03","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4510524","9.579","0.0012","9.579","0.0012","12.11","0.002","90","","90","","90","","1111.2","0.3","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C9 H13 N O3 S Zn -","- C9 H13 N O3 S Zn -","- C36 H52 N4 O12 S4 Zn4 -","4","1","","Yao, Jia; Mo, Yong-Hui; Chen, Jia-Mei; Lu, Tong-Bu","New Approach to Reduce the Overhigh Plasma Concentration of Captopril by the Formation of Zinc Coordination Polymer","Crystal Growth & Design","2014","14","5","2599","","10.1021/cg500302h","","","1.54184","CuKα","","0.0691","0.0613","","","0.1511","0.1589","","","","","","1.017","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4513454","15.9607","0.0008","15.9607","0.0008","5.4313","0.0001","90","","90","","90","","1383.59","0.1","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C15 H13 Br N2 -","- C15 H13 Br N2 -","- C60 H52 Br4 N8 -","4","1","","Zhang, De-Yang; Shao, Long; Xu, Jie; Hu, Xiang-Ping","Copper-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Acetates with Hydrazines: Enantioselective Synthesis of Optically Active 2-Pyrazolines","ACS Catalysis","2015","5","9","5026","","10.1021/acscatal.5b01283","","","0.71073","MoKα","","0.0375","0.0355","","","0.0914","0.0937","","","","","","0.996","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4514656","13.2477","0.0009","13.2477","0.0009","32.623","0.002","90","","90","","90","","5725.4","0.7","100","2","100","","","","","","","","","6","P 41","P 4w","76","","","","- C27 H48 Cl N2 P Ru -","- C27 H48 Cl N2 P Ru -","- C216 H384 Cl8 N16 P8 Ru8 -","8","2","","Paulson, Erik R.; Moore, Curtis E.; Rheingold, Arnold L.; Pullman, David P.; Sindewald, Ryan W.; Cooksy, Andrew L.; Grotjahn, Douglas B.","Dynamic π-Bonding of Imidazolyl Substituent in a Formally 16-Electron Cp*Ru(κ2-P,N)+ Catalyst Allows Dramatic Rate Increases in (E)-Selective Monoisomerization of Alkenes","ACS Catalysis","2019","9","8","7217","","10.1021/acscatal.8b04345","","","0.71073","MoKα","","0.0319","0.0309","","","0.069","0.0697","","","","","","1.021","","","","has coordinates","219834","2020-10-21","18:00:00",""
"4514669","9.7248","0.0016","9.7248","","48.32","0.008","90","","90","","90","","4569.7","1.1","123","2","123","2","","","","","","","","6","P 41","P 4w","76","","","","- C25 H25 Br N2 O2 S -","- C25 H25 Br N2 O2 S -","- C200 H200 Br8 N16 O16 S8 -","8","2","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.1232","0.0595","","","0.0818","0.1021","","","","","","0.971","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514910","10.0749","0.0003","10.0749","0.0003","24.547","0.001","90","","90","","90","","2491.61","0.15","200","2","200","2","","","","","","","","5","P 41","P 4w","76","","","","- C31 H26 N2 O2 S -","- C31 H26 N2 O2 S -","- C124 H104 N8 O8 S4 -","4","1","","Barve, Indrajeet J.; Chang, Wong-Jin; Lin, Yen-Tzu; Thikekar, Tushar Ulhas; Sun, Chung-Ming","Base Controlled Three-Component Regioselective Synthesis of 2-Imino Thiazolines and 2-Thioxoimidazolin-4-ones.","ACS combinatorial science","2019","21","4","269","275","10.1021/acscombsci.8b00152","","","0.71073","MoKα","","0.0714","0.0418","","","0.0765","0.0869","","","","","","0.979","","","","has coordinates","220071","2020-10-21","18:00:00",""
"4515911","13.4241","0.0006","13.4241","0.0006","7.2863","0.0004","90","","90","","90","","1313.04","0.11","296","2","296","2","","","","","","","","3","P 41","P 4w","76","OK-17","OK-17","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang","Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.","ACS omega","2018","3","1","176","180","10.1021/acsomega.7b01668","","","1.54178","CuKα","","0.0765","0.0608","","","0.145","0.1607","","","","","","1.03","","","","has coordinates","225991","2020-10-21","18:00:00",""
"4516746","13.8725","0.0007","13.8725","0.0007","24.3173","0.0013","90","","90","","90","","4679.8","0.4","110","2","110","2","","","","","","","","6","P 41","P 4w","76","","","","- C44.88 H61.54 Cl3 Co N6 O3.88 -","- C44.88 H61.52 Cl3 Co N6 O3.88 -","- C179.52 H246.08 Cl12 Co4 N24 O15.52 -","4","1","","Lewis, Kyle G.; Ghosh, Subrata K.; Bhuvanesh, Nattamai; Gladysz, John A.","Cobalt(III) Werner Complexes with 1,2-Diphenylethylenediamine Ligands: Readily Available, Inexpensive, and Modular Chiral Hydrogen Bond Donor Catalysts for Enantioselective Organic Synthesis.","ACS central science","2015","1","1","50","56","10.1021/acscentsci.5b00035","","","1.54178","CuKα","","0.051","0.0407","","","0.0841","0.0871","","","","","","1.071","","","","has coordinates,has disorder","239505","2020-10-21","18:00:00",""
"4517861","9.491","0.0004","9.491","0.0004","27.7364","0.0011","90","","90","","90","","2498.47","0.18","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","","","- C26 H40 Hf N2 -","- C26 H40 Hf N2 -","- C104 H160 Hf4 N8 -","4","1","","Wallace, Mark A.; Zavalij, Peter Y.; Sita, Lawrence R.","Enantioselective Living Coordinative Chain Transfer Polymerization: Production of Optically Active End-Group-Functionalized (+)- or (−)-Poly(methylene-1,3-cyclopentane) via a Homochiral C1-Symmetric Caproamidinate Hafnium Initiator","ACS Catalysis","2020","","","8496","8502","10.1021/acscatal.0c02104","","","0.71073","MoKα","","0.0199","0.0181","","","0.0426","0.0429","","","","","","1.07","","","","has coordinates","257058","2020-10-21","18:00:00",""
"4518257","9.1412","0.0002","9.1412","0.0002","18.5205","0.0006","90","","90","","90","","1547.6","0.07","98","2","98","2","","","","","","","","3","P 41","P 4w","76","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E.","Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00534","","x-ray","0.71073","MoKα","","0.0458","0.0446","","","0.0976","0.099","","","","","","1.068","","","","has coordinates","259207","2020-11-20","22:55:46",""
"5000054","17.685","0.005","17.685","0.005","4.919","0.002","90","","90","","90","","1538.46","","","","","","","","","","","","","4","P 41","P 4w","76","","","","- C14 H19 N2 O5.5 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Hatada, M.; Jancarik, J.; Graves, B.; Kim, Sung-Hou","Crystal structure of aspartame, a peptide sweetener","Journal of the American Chemical Society","1985","107","14","4279","4282","10.1021/ja00300a034","","","","","","","","","","","","","","","","","","","","","has coordinates","175328","2020-10-21","18:00:00",""
"5910239","6.98","","6.98","","24.2","","90","","90","","90","","1179.03","","","","","","","","","","","","","3","P 41","P 4w","76","","antimony iodine ocyachloride","","- Cl8 I Sb -","- Cl128 I16 Sb16 -","- Cl128 I16 Sb16 -","","","","Wyckoff, R. W. G.","Pages 452-455 from the Structure of Crystals, vol. 3 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951","The Structure of Crystals","1951","3","","452","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"7000264","9.1568","0.0002","9.1568","0.0002","29.1683","0.0008","90","","90","","90","","2445.67","0.1","173","2","173","2","","","","","","","synthesis as described","4","P 41","P 4w","76","","","","- C20 H30 N10 Sn -","- C20 H30 N10 Sn -","- C80 H120 N40 Sn4 -","4","1","","Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.; Uiterweerd, Patrick G. H.","Synthesis and structures of halides and pseudohalides of bis[2,6-bis(dimethylamino)phenyl]tin(IV)","Dalton Transactions","2009","","2","353","361","10.1039/b813353k","","x-ray","0.71073","MoKα","","0.0398","0.0378","","","0.0946","0.0956","","","","","","1.193","","","","has coordinates","209571","2020-10-21","18:00:00",""
"7001281","9.5338","0.0006","9.5338","0.0006","16.209","0.002","90","","90","","90","","1473.3","0.2","203","2","203","2","","","","","","","","5","P 41","P 4w","76","","(η^4^-cycloocta-1,5-diene)((S)-N-phenylglycinato-κN,O)rhodium(I)","","- C16 H20 N O2 Rh -","- C16 H20 N O2 Rh -","- C64 H80 N4 O8 Rh4 -","4","1","","Janiak, Christoph; Chamayou, Anne-Christine; Royhan Uddin, A. K. M.; Uddin, Mohammad; Hagen, Karl S.; Enamullah, Mohammed","Polymorphs, enantiomorphs, chirality and helicity in [Rh{N,O}(η4-cod)] complexes with {N,O} = salicylaldiminato Schiff base or aminocarboxylato ligands","Dalton Transactions","2009","","19","3698","3709","10.1039/b820072f","","","0.71073","MoKα","","0.052","0.0464","","","0.1304","0.1377","","","","","","1.385","","","","has coordinates","209592","2020-10-21","18:00:00",""
"7001910","19.327","0.001","19.327","0.001","18.48","0.001","90","","90","","90","","6902.9","0.6","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C45 H57 Cu5 Eu N12 O25 -","- C45 H51 Cu5 Eu N12 O25 -","- C180 H204 Cu20 Eu4 N48 O100 -","4","1","","Tegoni, Matteo; Tropiano, Manuel; Marchiò, Luciano","Thermodynamics of binding of carboxylates to amphiphilic Eu3+/Cu2+ metallacrown","Dalton Transactions","2009","","34","6705","6708","10.1039/b911512a","","","0.71073","MoKα","","0.0941","0.0409","","","0.0933","0.1179","","","","","","1.004","","","","has coordinates,has disorder","179717","2020-10-21","18:00:00",""
"7005255","17.121","0.002","17.121","0.002","19.397","0.004","90","","90","","90","","5685.8","1.5","150","2","150","2","","","","","","","","3","P 41","P 4w","76","","","","- C25 H45 P5 -","- C25 H45 P5 -","- C200 H360 P40 -","8","2","","Jones, Cameron; Schulten, Christian; Stasch, Andreas","Differing reactivities of P?CMe and P?CBut towards a triphosphabenzene and a tetraphosphabarrelene: synthesis of new phosphaalkyne pentamers (P5C5MenBut5?n, n = 0, 1 or 2)","Dalton Transactions","2007","","19","1929","","10.1039/b618515k","","","0.71073","MoKα","","0.0585","0.0486","","","0.1062","0.1115","","","","","","1.014","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7011849","22.5468","0.0003","22.5468","0.0003","13.4343","0.0001","90","","90","","90","","6829.44","0.14","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C29 H24 Mn2 N16 O3 -","- C29 H19 Mn2 N16 O3 -","- C232 H152 Mn16 N128 O24 -","8","2","","Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/","Journal of the Chemical Society, Dalton Transactions","2002","","19","3712","","10.1039/b205007b","","","0.71073","MoKα","","0.1148","0.0488","","","0.0951","0.1169","","","","","","0.972","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011850","22.3171","0.0004","22.3171","0.0004","13.2602","0.0001","90","","90","","90","","6604.28","0.17","123","2","123","2","","","","","","","","5","P 41","P 4w","76","","","","- C29 H24 Fe2 N16 O3 -","- C29 H19 Fe2 N16 O3 -","- C232 H152 Fe16 N128 O24 -","8","2","","Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/","Journal of the Chemical Society, Dalton Transactions","2002","","19","3712","","10.1039/b205007b","","","0.71073","MoKα","","0.1239","0.073","","","0.1237","0.142","","","","","","1.028","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011851","22.2246","0.0002","22.2246","0.0002","13.1576","0.0001","90","","90","","90","","6498.97","0.1","123","2","123","2","","","","","","","","5","P 41","P 4w","76","","","","- C29 H24 Co2 N16 O3 -","- C29 H19 Co2 N16 O3 -","- C232 H152 Co16 N128 O24 -","8","2","","Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.","Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/","Journal of the Chemical Society, Dalton Transactions","2002","","19","3712","","10.1039/b205007b","","","0.71073","MoKα","","0.0504","0.0335","","","0.073","0.0789","","","","","","1.035","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7012344","11.164","0.002","11.164","0.002","14.91","0.003","90","","90","","90","","1858.3","0.6","180","2","180","2","","","","","","","synthesis as described","5","P 41","P 4w","76","","","","- C18 H27 N3 O3 S -","- C18 H27 N3 O3 S -","- C72 H108 N12 O12 S4 -","4","1","","Pulacchini, Sonia; Sibbons, Kevin F.; Shastri, Kirtida; Motevalli, Majid; Watkinson, Michael; Wan, Hayley; Whiting, Andrew; Lightfoot, Andrew P.","Synthesis of C2-symmetric aza- and azaoxa-macrocyclic ligands derived from (1R,2R)-1,2-diaminocyclohexane and their applications in catalysisBased on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands.","Dalton Transactions","2003","","10","2043","","10.1039/b210285d","","x-ray","0.71073","MoKα","","0.2105","0.0683","","","0.1382","0.1818","","","","","","0.999","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012917","12.1947","0.0004","12.1947","0.0004","12.6119","0.0004","90","","90","","90","","1875.52","0.11","173","2","173","2","","","","","","","synthesis as described","4","P 41","P 4w","76","[PPh2C(NiPr)(NHiPr)]","","","- C19 H25 N2 P -","- C19 H25 N2 P -","- C76 H100 N8 P4 -","4","1","","Grundy, Joanna; Coles, Martyn P.; Hitchcock, Peter B.","Synthesis and coordination chemistry of neutral phospha(iii)guanidines. Formation of 1-aza-3-phospha-4-metallacyclobut-1-ene rings at group 6 metalsElectronic supplementary information (ESI) available: an ORTEP representation and bond lengths and angles for 3a; crystal structure and refinement data, bond lengths and angles and an ORTEP representation of the molecular structure of Mo(CO)4(pip)2. See http://www.rsc.org/suppdata/dt/b3/b302554c/","Dalton Transactions","2003","","12","2573","","10.1039/b302554c","","x-ray","0.71073","MoKα","","0.0415","0.0393","","","0.099","0.1003","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7014201","21.247","0.003","21.247","0.003","14.214","0.002","90","","90","","90","","6416.7","1.6","293","2","293","2","","","","","","","","7","P 41","P 4w","76","","","","- C57 H49 Cl2 N O P4 Pd2 -","- C57 H49 Cl2 N O P4 Pd2 -","- C228 H196 Cl8 N4 O4 P16 Pd8 -","4","1","","Besenyei, Gábor; Párkányi, László; Szalontai, Gábor; Holly, Sándor; Pápai, Imre; Keresztury, Gábor; Nagy, Andrea","N-benzoylimido complexes of palladium. Synthesis, structural characterisation and structure-reactivity relationship.","Dalton transactions (Cambridge, England : 2003)","2004","","13","2041","2050","10.1039/b403200d","","","1.54184","CUkα","","0.0933","0.0513","","","0.1079","0.1211","","","","","","0.912","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7016825","9.6193","0.0004","9.6193","0.0004","30.8153","0.0009","90","","90","","90","","2851.37","0.19","200","","200","","","","","","","","Research School of Chemistry","4","P 41","P 4w","76","RuCp*(C5H5B-CN)","","","- C28 H47 B N2 -","- C28 H47 B N2 -","- C112 H188 B4 N8 -","4","1","","Cade, Ian A.; Hill, Anthony F.","1-Borabenzonitrile (B-cyanoboratabenzene).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10563","10567","10.1039/c1dt10849b","","","0.71073","MoKα","","0.0938","0.0398","","0.1018","0.0892","0.1018","","","","","","0.8728","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024761","13.4764","0.001","13.4764","0.001","17.411","0.003","90","","90","","90","","3162.1","0.6","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H49 Cl2 N5 Ni O10 -","- C22 H49 Cl2 N5 Ni O10 -","- C88 H196 Cl8 N20 Ni4 O40 -","4","1","","Ou, Guang-Chuan; Wang, Zi-Zhou; Yang, Li-Zi; Zhao, Cun-Yuan; Lu, Tong-Bu","Chiral resolution of a racemic macrocyclic complex by recognition of one enantiomer over the other: structures and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4274","4279","10.1039/b921141a","","","0.71073","MoKα","","0.1053","0.0532","","","0.1105","0.1326","","","","","","1.025","","","","has coordinates,has disorder","179952","2020-10-21","18:00:00",""
"7024763","13.3805","0.0007","13.3805","0.0007","17.612","0.0018","90","","90","","90","","3153.2","0.4","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H49 Cl2 N5 Ni O10 -","- C22 H49 Cl2 N5 Ni O10 -","- C88 H196 Cl8 N20 Ni4 O40 -","4","1","","Ou, Guang-Chuan; Wang, Zi-Zhou; Yang, Li-Zi; Zhao, Cun-Yuan; Lu, Tong-Bu","Chiral resolution of a racemic macrocyclic complex by recognition of one enantiomer over the other: structures and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4274","4279","10.1039/b921141a","","","0.71073","MoKα","","0.0747","0.0529","","","0.1427","0.1616","","","","","","1.078","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7025209","13.5641","0.0014","13.5641","0.0014","16.992","0.004","90","","90","","90","","3126.3","0.9","98","2","98","2","","","","","","","","6","P 41","P 4w","76","Monospiro phosphazene 3a","","","- C8 H9 Cl4 N4 O P3 -","- C8 H9 Cl4 N4 O P3 -","- C64 H72 Cl32 N32 O8 P24 -","8","2","","Lee, David K. Y.; Jackson, Anne-Martine S; Fushimi, Toshiki; Yennawar, Hemant; Allcock, Harry R.","Synthesis and inclusion behavior of cyclotriphosphazene molecules with asymmetric spiro rings.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5341","5348","10.1039/b925734a","","","0.71073","MoKα","","0.0403","0.0368","","","0.0755","0.077","","","","","","1.028","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7025645","11.5433","0.0006","11.5433","0.0006","22.9224","0.0015","90","","90","","90","","3054.4","0.3","173","2","173","2","","","","","","","","4","P 41","P 4w","76","ZnONc","","","- C24 H44 O8 Zn2 -","- C24 H44 O8 Zn2 -","- C96 H176 O32 Zn8 -","4","1","","Boyle, Timothy J.; Raymond, Rebecca; Boye, Daniel M.; Ottley, Leigh Anna M.; Lu, Ping","Structurally characterized luminescent lanthanide zinc carboxylate precursors for Ln-Zn-O nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","8050","8063","10.1039/c002492a","","","0.71073","MoKα","","0.0306","0.0276","","","0.0629","0.0644","","","","","","1.002","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7027252","21.171","0.006","21.171","0.006","14.309","0.004","90","","90","","90","","6413","3","173","","173","","","","","","","","","6","P 41","P 4w","76","","","","- C54 H54 Cl8 O3 P4 Pd2 -","- C54 H50 Cl8 O3 P4 Pd2 -","- C216 H200 Cl32 O12 P16 Pd8 -","4","1","","Blin, Joël; Braunstein, Pierre; Fischer, Jean; Kickelbick, Guido; Knorr, Michael; Morise, Xavier; Wirth, Tobias","Heterobimetallic alkoxysilyl cationic complexes: investigations into the displacement of a μ-η2-Si,O bridge by functional phosphine ligands","Journal of the Chemical Society, Dalton Transactions","1999","","13","2159","","10.1039/a900390h","","","0.71073","Mo-Kα","","0.046","0.036","","0.073","","0.054","","","1.607","","","1.181","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7029422","8.8546","0.0003","8.8546","0.0003","22.276","0.0009","90","","90","","90","","1746.53","0.11","103","2","103","2","","","","","","","","6","P 41","P 4w","76","","","","- C15 H20 Cl2 N2 O2 Pd -","- C15 H20 Cl2 N2 O2 Pd -","- C60 H80 Cl8 N8 O8 Pd4 -","4","1","","Yap, Jeanette See Leng; Li, Bin Bin; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Development of a novel chiral palladacycle and its application in asymmetric hydrophosphination reaction.","Dalton transactions (Cambridge, England : 2003)","2014","43","15","5777","5784","10.1039/c4dt00062e","","","0.71073","MoKα","","0.0343","0.0307","","","0.0593","0.0608","","","","","","1.036","","","","has coordinates","180000","2020-10-21","18:00:00",""
"7031783","14.9117","0.0006","14.9117","0.0006","15.5134","0.0007","90","","90","","90","","3449.5","0.3","100","2","100","2","","","","","","","","8","P 41","P 4w","76","","[RuH(OTf)(CO)(PNP)]","","- C37 H36 F3 N O4 P2 Ru S -","- C37 H36 F3 N O4 P2 Ru S -","- C148 H144 F12 N4 O16 P8 Ru4 S4 -","4","1","","Ramaraj, A.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Contrasting reactivity behaviour of the [RuHCl(CO)(PNP)] complex with electrophilic reagents XOTf (X = H, CH3, Me3Si).","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14625","14635","10.1039/c4dt01570c","","","0.71073","MoKα","","0.1073","0.058","","","0.1012","0.1199","","","","","","0.932","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7032741","10.4016","0.0007","10.4016","0.0007","31.197","0.004","90","","90","","90","","3375.3","0.5","90","2","90","2","","","","","","","","3","P 41","P 4w","76","","","","- C44 H42 Zn -","- C44 H42 Zn -","- C176 H168 Zn4 -","4","1","","Blundell, Toby J.; Hastings, Fiona R.; Gridley, Benjamin M.; Moxey, Graeme J.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.","Ligand influences on homoleptic Group 12 m-terphenyl complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14257","14264","10.1039/c4dt00647j","","","0.71073","MoKα","","0.0612","0.0551","","","0.105","0.109","","","","","","1.18","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7035418","22.454","0.004","22.454","0.004","10.598","0.004","90","","90","","90","","5343","2","100","","100","","","","","","","","","7","P 41","P 4w","76","","","","- C51 H63 Br2 Fe N3 O7 P2 -","- C51 H63 Br2 Fe N3 O7 P2 -","- C204 H252 Br8 Fe4 N12 O28 P8 -","4","1","","Holzhacker, Christian; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Realista, Sara; Gil, Adrià; Calhorda, Maria José; Müller, Danny; Kirchner, Karl","Synthesis and reactivity of TADDOL-based chiral Fe(ii) PNP pincer complexes-solution equilibria between κ(2)P,N- and κ(3)P,N,P-bound PNP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13071","13086","10.1039/c5dt00832h","","x-ray","0.71073","MoKα","","0.0487","0.0396","","","0.0462","0.0475","","","","1.89","1.89","1.77","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036447","8.708","0.005","8.708","0.005","37.495","0.005","90","","90","","90","","2843","2","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C64 H46 Cd2 N16 O9 -","- C64 H44 Cd2 N16 O9 -","- C128 H88 Cd4 N32 O18 -","2","0.5","","Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Yang, Liu; Shao, Kui-Zhan; Su, Zhong-Min","Spontaneous chiral resolution of a rare 3D self-penetration coordination polymer for sensitive aqueous-phase detection of picric acid.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18386","18394","10.1039/c5dt03218k","","","0.71069","MoKα","","0.0288","0.0245","","","0.0522","0.0537","","","","","","1.052","","","","has coordinates,has disorder","171264","2020-10-21","18:00:00",""
"7038799","16.9141","0.0007","16.9141","0.0007","19.2307","0.0011","90","","90","","90","","5501.6","0.5","110","2","110","2","","","","","","","","6","P 41","P 4w","76","","","","- C50 H96 Br2 O2 Os P2 -","- C50 H96 Br2 O2 Os P2 -","- C200 H384 Br8 O8 Os4 P8 -","4","1","","Fiedler, Tobias; Bhuvanesh, Nattamai; Hampel, Frank; Reibenspies, Joseph H.; Gladysz, John A.","Gyroscope like molecules consisting of trigonal or square planar osmium rotators within three-spoked dibridgehead diphosphine stators: syntheses, substitution reactions, structures, and dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","7131","7147","10.1039/c6dt00692b","","","0.71073","MoKα","","0.0529","0.0407","","","0.0989","0.1076","","","","","","1.036","","","","has coordinates","182722","2020-10-21","18:00:00",""
"7040496","13.0287","0.0005","13.0287","0.0005","47.9343","0.0018","90","","90","","90","","8136.7","0.5","100","1","100","1","","","","","","","","7","P 41","P 4w","76","","","","- C71 H72 Ce Cl16 Li4 N8 O4 -","- C71 H72 Ce Cl16 Li4 N8 O4 -","- C284 H288 Ce4 Cl64 Li16 N32 O16 -","4","1","","Levin, Jessica R.; Cheisson, Thibault; Carroll, Patrick J.; Schelter, Eric J.","Accessing relatively electron poor cerium(iv) hydrazido complexes by lithium cation promoted ligand reduction.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15249","15258","10.1039/c6dt03154d","","","0.71073","MoKα","","0.024","0.0233","","","0.054","0.0542","","","","","","1.198","","","","has coordinates","187077","2020-10-21","18:00:00",""
"7040568","11.4177","0.0004","11.4177","0.0004","22.4321","0.0011","90","","90","","90","","2924.3","0.2","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C25 H33 Dy N8 O12 -","- C25 H33 Dy N8 O12 -","- C100 H132 Dy4 N32 O48 -","4","1","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Muffin-like lanthanide complexes with an N5O2-donor macrocyclic ligand showing field-induced single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15114","15121","10.1039/c6dt02537d","","","0.71073","MoKα","","0.0161","0.0151","","","0.0361","0.0365","","","","","","1.126","","","","has coordinates","188121","2020-10-21","18:00:00",""
"7040569","11.4208","0.0004","11.4208","0.0004","22.4435","0.0011","90","","90","","90","","2927.4","0.2","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C25 H33 N8 O12 Tb -","- C25 H33 N8 O12 Tb -","- C100 H132 N32 O48 Tb4 -","4","1","","Antal, Peter; Drahoš, Bohuslav; Herchel, Radovan; Trávníček, Zdeněk","Muffin-like lanthanide complexes with an N5O2-donor macrocyclic ligand showing field-induced single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","15114","15121","10.1039/c6dt02537d","","","0.71073","MoKα","","0.0138","0.0127","","","0.0311","0.0315","","","","","","1.11","","","","has coordinates","188121","2020-10-21","18:00:00",""
"7042516","21.9756","0.0004","21.9756","0.0004","30.3333","0.0009","90","","90","","90","","14648.8","0.6","147","2","147","2","","","","","","","","5","P 41","P 4w","76","","","","- C77 H74.5 Fe N9.5 O12 -","- C77 H74.5 Fe N9.5 O12 -","- C616 H596 Fe8 N76 O96 -","8","2","","Ferranco, Annaleizle; Basak, Shibaji; Lough, Alan; Kraatz, Heinz-Bernhard","Metal coordination of ferrocene-histidine conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4844","4859","10.1039/c7dt00456g","","","1.54178","CuKα","","0.14","0.1109","","","0.2713","0.2975","","","","","","1.012","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7046576","15.558","0.003","15.558","0.003","31.543","0.007","90","","90","","90","","7635","3","150","2","150","2","","","","","","","","3","P 41","P 4w","76","","","","- C22 H33 Ti -","- C22 H33 Ti -","- C352 H528 Ti16 -","16","4","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Žilková, NaděŽda; Mach, Karel","Hydrogenation of titanocene and zirconocene bis(trimethylsilyl)acetylene complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","8921","8932","10.1039/c8dt01909f","","","0.71073","MoKα","","0.1307","0.0713","","","0.1471","0.1774","","","","","","1.013","","","","has coordinates","229333","2020-10-21","18:00:00",""
"7046711","9.2596","0.0001","9.2596","0.0001","31.6205","0.0007","90","","90","","90","","2711.15","0.07","90","2","90","2","","","","","","","","6","P 41","P 4w","76","","","","- C24 H26 Cl2 Fe N6 O8 -","- C24 H26 Cl2 Fe N6 O8 -","- C96 H104 Cl8 Fe4 N24 O32 -","4","1","","García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio","Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9156","9163","10.1039/c8dt01425f","","","0.71073","MoKα","","0.0404","0.0368","","","0.074","0.0761","","","","","","1.052","","","","has coordinates","229318","2020-10-21","18:00:00",""
"7050120","11.383","0.001","11.383","0.001","18.347","0.001","90","","90","","90","","2377.3","0.3","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C28 H22 N2 O2 S2 Zn -","- C28 H22 N2 O2 S2 Zn -","- C112 H88 N8 O8 S8 Zn4 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.0477","0.0375","","","0.0702","0.0737","","","","","","1.022","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7050121","11.233","0.001","11.233","0.001","18.428","0.002","90","","90","","90","","2325.3","0.4","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C28 H22 N2 Ni O2 S2 -","- C28 H22 N2 Ni O2 S2 -","- C112 H88 N8 Ni4 O8 S8 -","4","1","","Gudneppanavar Rajsekhar; Chebrolu P. Rao; Pauli Saarenketo; Kalle Nättinen; Kari Rissanen","Complexation behaviour of hexadentate ligands possessing N2O4 and N2O2S2 cores: differential reactivity towards Co(II), Ni(II) and Zn(II) salts and structures of the products","New J. Chem.","2004","28","1","75","84","10.1039/b305313j","","","0.71073","MoKα","","0.2345","0.194","","","0.4342","0.4559","","","","","","1.112","","","","has coordinates","180055","2020-10-21","18:00:00",""
"7051143","9.669","0.0006","9.669","0.0006","18.4244","0.0009","90","","90","","90","","1722.49","0.17","173","0.1","173","0.1","","","","","","","","2","P 41","P 4w","76","","","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0486","0.0386","","","0.0785","0.0818","","","","","","1.08","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7052961","11.8572","0.0002","11.8572","0.0002","12.3816","0.0003","90","","90","","90","","1740.77","0.06","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C20 H20 N P S -","- C20 H20 N P S -","- C80 H80 N4 P4 S4 -","4","1","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","1.54184","CuKα","","0.0336","0.0321","","","0.0811","0.0827","","","","","","1.07","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7054463","9.807","0.009","9.807","0.009","34.426","0.003","90","","90","","90","","3311","4","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C26 H30 Cd N12 O8 -","- C26 H30 Cd N12 O8 -","- C104 H120 Cd4 N48 O32 -","4","1","","Guan, Qing-Lin; Liu, Zhi; Wei, Wen-Juan; Xing, Yong-Heng; Liu, Jing; Zhang, Rui; Hou, Ya-Nan; Wang, Xuan; Bai, Feng-Ying","Synthesis, structure, spectroscopy of four novel supramolecular complexes and cytotoxicity study by application of multiple parallel perfused microbioreactors","New Journal of Chemistry","2014","38","7","3258","","10.1039/c3nj01646c","","","0.71073","MoKα","","0.0951","0.0771","","","0.178","0.1885","","","","","","1.071","","","","has coordinates,has disorder","180098","2020-10-21","18:00:00",""
"7054464","9.839","0.001","9.839","0.001","34.516","0.003","90","","90","","90","","3341.4","0.6","273","2","273","2","","","","","","","","5","P 41","P 4w","76","","","","- C27 H31 Cd N10 O2.5 -","- C27 H31 Cd N10 O2.5 -","- C108 H124 Cd4 N40 O10 -","4","1","","Guan, Qing-Lin; Liu, Zhi; Wei, Wen-Juan; Xing, Yong-Heng; Liu, Jing; Zhang, Rui; Hou, Ya-Nan; Wang, Xuan; Bai, Feng-Ying","Synthesis, structure, spectroscopy of four novel supramolecular complexes and cytotoxicity study by application of multiple parallel perfused microbioreactors","New Journal of Chemistry","2014","38","7","3258","","10.1039/c3nj01646c","","","0.71073","MoKα","","0.1139","0.0889","","","0.2475","0.2706","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7055789","9.025","0.004","9.025","0.004","10.2","0.004","90","","90","","90","","830.8","0.6","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Dîrtu, Marinela M.; Adarsh, N. N.; Naik, Anil D.; Robeyns, Koen; Garcia, Yann","Supramolecular homochiral helicity and zigzag hydrogen bonded chains in 1,2,4-triazole derived aminoester and aminoacid","New J. Chem.","2016","40","11","9025","","10.1039/C6NJ01687A","","","0.71069","MoKα","","0.0357","0.0317","","","0.082","0.0854","","","","","","1.096","","","","has coordinates,has disorder","188257","2020-10-21","18:00:00",""
"7105761","9.3547","0.0011","9.3547","0.0011","51.084","0.006","90","","90","","90","","4470.4","0.9","100","2","100","2","","","","","","","","4","P 41","P 4w","76","","","","- C27 H21 Cl O3 -","- C27 H21 Cl O3 -","- C216 H168 Cl8 O24 -","8","2","","Carlo Cassani; Xu Tian; Eduardo Escudero-Adan; Paolo Melchiorre","Multiple approaches to enantiopure spirocyclic benzofuranones using organocatalytic cascade reactions","Chem.Commun.","2011","47","","233","","10.1039/c0cc01957g","","","0.71073","MoKα","","0.1222","0.1074","","","0.2585","0.2669","","","","","","1.112","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7107187","12.367","0.003","12.367","0.003","5.2934","0.0011","90","","90","","90","","809.6","0.3","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C5 H8 Co N O5.5 S -","- C5 H7 Co N O5.5 S -","- C20 H28 Co4 N4 O22 S4 -","4","1","","Yan-Yan Yin; Xiao-Yan Chen; Xiao-Chang Cao; Wei Shi; Peng Cheng","Temperature-directed structural recurrence in low-symmetric Co(II) complexes and nanocrystals","Chem.Commun.","2012","48","","705","","10.1039/c1cc16336a","","","0.71073","MoKα","","0.1171","0.0841","","","0.1157","0.1245","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107189","12.264","0.0017","12.264","0.0017","5.2535","0.0011","90","","90","","90","","790.2","0.2","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C5 H8 Co N O5.5 S -","- C5 H7 Co N O5.5 S -","- C20 H28 Co4 N4 O22 S4 -","4","1","","Yan-Yan Yin; Xiao-Yan Chen; Xiao-Chang Cao; Wei Shi; Peng Cheng","Temperature-directed structural recurrence in low-symmetric Co(II) complexes and nanocrystals","Chem.Commun.","2012","48","","705","","10.1039/c1cc16336a","","","0.71073","MoKα","","0.0811","0.0618","","","0.0853","0.0896","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109159","11.9782","0.0004","11.9782","0.0004","15.7892","0.0013","90","","90","","90","","2265.4","0.2","173","2","173","2","","","","","","","","8","P 41","P 4w","76","","","","- C16 H23 Cl2 Cu N2 O1.5 S1.5 Si -","- C16 H23 Cl2 Cu N2 O1.5 S1.5 Si -","- C64 H92 Cl8 Cu4 N8 O6 S6 Si4 -","4","1","","Kyung Hwan Park; Tae Hwan Noh; Yoon-Bo Shim; Ok-Sang Jung","Construction of right-handed-, left-handed-, and racemic helical coordination polymers. Enantioselective recognition using chiral helical crystals","Chem.Commun.","2013","49","","4000","","10.1039/c3cc00005b","","","0.71073","MoKα","","0.0708","0.0491","","","0.1168","0.1221","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109774","19.5766","0.0007","19.5766","0.0007","13.6033","0.0007","90","","90","","90","","5213.4","0.4","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C49 H65 N3 O Si2 Zn -","- C49 H65 N3 O Si2 Zn -","- C196 H260 N12 O4 Si8 Zn4 -","4","1","","Haobing Wang; Haiyan Ma","Highly diastereoselective synthesis of chiral aminophenolate zinc complexes and isoselective polymerization of rac-lactide","Chem.Commun.","2013","49","","8686","","10.1039/c3cc44980g","","","0.71073","MoKα","","0.0757","0.0506","","","0.1118","0.1203","","","","","","0.94","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7110009","9.368","0.003","9.368","0.003","30.389","0.016","90","","90","","90","","2666.9","1.9","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C19 H34 Cl N5 O12 Zn -","- C19 H24 Cl N5 O12 Zn -","- C76 H96 Cl4 N20 O48 Zn4 -","4","1","","Yuehong Wen; Tianlu Sheng; Shengmin Hu; Xiao Ma; Chunhong Tan; Yanlong Wang; Zhihao Sun; Zhenzhen Xue; Xintao Wu","Intercalation of chiral molecules into layered metal-organic frameworks: a strategy to synthesize homochiral MOFs","Chem.Commun.","2013","49","","10644","","10.1039/c3cc46230g","","","0.71073","MoKα","","0.0724","0.0607","","","0.1512","0.1619","","","","","","1.066","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110698","17.208","0.001","17.208","0.001","23.775","0.001","90","","90","","90","","7040.1","0.6","173","","173","","","","","","","","","4","P 41","P 4w","76","","","","- C77 H77 N9 O8 -","- C77 H62 N9 O8 -","- C308 H248 N36 O32 -","4","1","","Jaunky, Wojciech; Hosseini, Mir Wais; Planeix, Jean Marc; Cian, André De; Kyritsakas, Nathalie; Fischer, Jean","Molecular braids: quintuple helical hydrogen bonded molecular network†","Chemical Communications","1999","","22","2313","","10.1039/a906728k","","","0.71073","Mo-Kα","","0.308","0.099","","0.224","","0.121","","","3.22","","","1.676","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7114636","10.77844","0.00012","10.77844","0.00012","16.0189","0.0003","90","","90","","90","","1860.99","0.05","170","2","170","2","","","","","","","","4","P 41","P 4w","76","","","","- C23 H17 F3 N2 -","- C23 H17 F3 N2 -","- C92 H68 F12 N8 -","4","1","","Xuejian Li; Di Chen; Haorui Gu; Xufeng Lin","Enantioselective synthesis of benzazepinoindoles bearing trifluoromethylated quaternary stereocenters catalyzed by chiral spirocyclic phosphoric acids","Chem.Commun.","2014","50","","7538","","10.1039/C4CC02295E","","","1.54184","CuKα","","0.0258","0.0249","","","0.0643","0.0657","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7116132","10.4058","0.0001","10.4058","0.0001","28.767","0.0002","90","","90","","90","","3114.91","0.05","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C32 H48 N2 O4 Zr -","- C32 H48 N2 O4 Zr -","- C128 H192 N8 O16 Zr4 -","4","1","","Matthew D. Jones; Stuart L. Hancock; Paul McKeown; Pascal M. Schafer; Antoine Buchard; Lynne H. Thomas; Mary F. Mahon; John P. Lowe","Zirconium complexes of bipyrrolidine derived salan ligands for the isoselective polymerisation of rac-lactide","Chem.Commun.","2014","50","","15967","","10.1039/C4cc07871C","","x-ray","1.54184","CuKα","","0.0703","0.0703","","","","0.1914","","","","","","1.095","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116325","12.4405","0.0005","12.4405","0.0005","13.4141","0.0008","90","","90","","90","","2076.05","0.17","298","2","298","2","","","","","","","see text","5","P 41","P 4w","76","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C88 H96 N8 O8 S4 -","4","1","","Rumpa Pal; Govindappa Nagendra; M. Samarasimhareddy; Vommina V. Sureshbabu; Tayur N. Guru Row","Observation of a reversible isomorphous phase transition and an interplay of 'sigma-holes' and 'pi-holes' in Fmoc-Leu-psi[CH2-NCS]","Chem.Commun.","2015","51","","933","","10.1039/C4cc08751H","","x-ray","0.71073","MoKα","","0.1268","0.0596","","","0.1041","0.1361","","","","","","1.027","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116326","17.4665","0.0001","17.4665","0.0001","13.1291","0.0001","90","","90","","90","","4005.41","0.04","100","2","100","2","","","","","","","see text","5","P 41","P 4w","76","","","","- C22 H24 N2 O2 S -","- C22 H24 N2 O2 S -","- C176 H192 N16 O16 S8 -","8","2","","Rumpa Pal; Govindappa Nagendra; M. Samarasimhareddy; Vommina V. Sureshbabu; Tayur N. Guru Row","Observation of a reversible isomorphous phase transition and an interplay of 'sigma-holes' and 'pi-holes' in Fmoc-Leu-psi[CH2-NCS]","Chem.Commun.","2015","51","","933","","10.1039/C4cc08751H","","x-ray","0.71073","MoKα","","0.0593","0.039","","","0.0969","0.1045","","","","","","1","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7117121","13.62","0.0003","13.62","0.0003","22.0245","0.0007","90","","90","","90","","4085.64","0.18","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H25 Cl3 F10 N6 O2 -","- C46 H25 Cl3 F10 N6 O2 -","- C184 H100 Cl12 F40 N24 O8 -","4","1","","Rafal Orlowski; Olena Vakuliuk; Maria Pia Gullo; Oksana Danylyuk; Barbara Ventura; Beata Koszarna; Anna Tarnowska; Nina Jaworska; Andrea Barbieri; Daniel T. Gryko","Self-assembling corroles","Chem.Commun.","2015","51","","8284","","10.1039/C5cc01306B","","","1.54184","CuKα","","0.0563","0.0514","","","0.1319","0.1372","","","","","","0.868","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117521","31.8128","0.0015","31.8128","0.0015","16.4343","0.0009","90","","90","","90","","16632.4","1.4","120","2","120","2","","","","","","","","6","P 41","P 4w","76","","","","- C231 H87 Cl9 O12 P4 S4 -","- C231 H87 Cl9 O12 P4 S4 -","- C924 H348 Cl36 O48 P16 S16 -","4","1","","Masaki Yamamura; Kimiya Sukegawa; Tatsuya Nabeshima","Tuning the depth of bowl-shaped phosphine hosts: capsule and pseudo-cage architectures in host-guest complexes with C60 fullerene","Chem.Commun.","2015","51","","12080","","10.1039/C5cc04194E","","","0.71073","MoKα","","0.2095","0.122","","","0.2623","0.2979","","","","","","1.19","","","","has coordinates","152084","2020-10-21","18:00:00",""
"7118779","10.4711","0.0004","10.4711","0.0004","44.073","0.004","90","","90","","90","","4832.3","0.5","150","2","150","2","","","","","","","","7","P 41","P 4w","76","","","","- C55 H49 B N2 O5 P2 Ru -","- C55 H49 B N2 O5 P2 Ru -","- C220 H196 B4 N8 O20 P8 Ru4 -","4","1","","Janes, Trevor; Osten, Kimberly M.; Pantaleo, Adam; Yan, Ellen; Yang, Yanxin; Song, Datong","Insertion of CO2 into the carbon-boron bond of a boronic ester ligand.","Chemical communications (Cambridge, England)","2016","52","22","4148","4151","10.1039/c6cc01257d","","","0.71073","MoKα","","0.1088","0.078","","","0.1662","0.1791","","","","","","1.072","","","","has coordinates,has disorder","181531","2020-10-21","18:00:00",""
"7119624","11.3868","0.0017","11.3868","0.0017","37.478","0.006","90","","90","","90","","4859.4","1.3","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C12 H12 N2 O2 S -","- C12 H12 N2 O2 S -","- C192 H192 N32 O32 S16 -","16","4","","Wang, Ming; Wei, Jianpeng; Fan, Qiaoling; Jiang, Xuefeng","Cu(ii)-catalyzed sulfide construction: both aryl groups utilization of intermolecular and intramolecular diaryliodonium salt.","Chemical communications (Cambridge, England)","2017","53","20","2918","2921","10.1039/c6cc09201b","","","0.71073","MoKα","","0.1966","0.1085","","","0.2759","0.3286","","","","","","1.043","","","","has coordinates","194976","2020-10-21","18:00:00",""
"7120085","11.68973","0.00013","11.68973","0.00013","54.0604","0.0008","90","","90","","90","","7387.34","0.16","120","1","120","1","","","","","","","","6","P 41","P 4w","76","","","","- C28 H30 F N3 Ni O2 -","- C28 H30 F N3 Ni O2 -","- C336 H360 F12 N36 Ni12 O24 -","12","3","","Wenz, Jan; Wadepohl, Hubert; Gade, Lutz H.","Regioselective hydrosilylation of epoxides catalysed by nickel(ii) hydrido complexes.","Chemical communications (Cambridge, England)","2017","53","31","4308","4311","10.1039/c7cc01655g","","x-ray","0.71073","MoKα","","0.0522","0.0417","","","0.0666","0.0698","","","","","","1.035","","","","has coordinates","196216","2020-10-21","18:00:00",""
"7120941","8.9035","0.0006","8.9035","0.0006","19.5908","0.0013","90","","90","","90","","1553.01","0.18","100","2","100","2","","","","","","","","4","P 41","P 4w","76","","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.0305","0.0296","","","0.0743","0.075","","","","","","1.058","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120942","8.9799","0.0013","8.9799","0.0013","19.914","0.003","90","","90","","90","","1605.8","0.4","298","2","298","2","","","","","","","","4","P 41","P 4w","76","","griseofulvin","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.0415","0.0345","","","0.0792","0.0832","","","","","","1.032","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120946","8.9144","0.0005","8.9144","0.0005","19.6524","0.0012","90","","90","","90","","1561.71","0.16","153","2","153","2","","","","","","","","4","P 41","P 4w","76","","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C68 H68 Cl4 O24 -","4","1","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.0302","0.0285","","","0.0712","0.0721","","","","","","1.063","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7122809","21.268","0.0004","21.268","0.0004","14.3108","0.0004","90","","90","","90","","6473.2","0.2","150","0.1","150","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C52.24 H46.48 Cl4.48 P4 Rh2 -","- C52.2666 H46.5332 Cl4.5332 P4 Rh2 -","- C209.066 H186.133 Cl18.1328 P16 Rh8 -","4","1","","Hill, Anthony; Barnett, Harrison J.","Halogenation of A-Frame μ-Carbido Complexes: Synthesis of η2-Halocarbynes","Chemical Communications","2019","","","","","10.1039/C8CC09692A","","x-ray","0.71073","MoKα","","0.0833","0.0594","","","0.1562","0.1815","","","","","","1.089","","","","has coordinates","213023","2020-10-21","18:00:00",""
"7123795","14.2215","0.0002","14.2215","0.0002","15.6241","0.0002","90","","90","","90","","3159.99","0.07","100","2","100","2","","","","","","","","3","P 41","P 4w","76","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","2","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.0435","0.0355","","","0.0792","0.0848","","","","","","1.034","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7123798","14.3658","0.0004","14.3658","0.0004","15.8337","0.0005","90","","90","","90","","3267.7","0.16","373","2","373","2","","","","","","","","3","P 41","P 4w","76","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","2","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.0633","0.038","","","0.0838","0.0993","","","","","","1.075","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7123799","14.51","0.015","14.51","0.015","15.944","0.011","90","","90","","90","","3357","5","473","2","473","2","","","","","","","","3","P 41","P 4w","76","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","2","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.1938","0.1033","","","0.2436","0.3456","","","","","","0.981","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7123800","14.3222","0.0006","14.3222","0.0006","15.7591","0.0007","90","","90","","90","","3232.6","0.2","296","2","296","2","","","","","","","","3","P 41","P 4w","76","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","2-(p-tolyll)-1H-phenanthro[9,10-d]imidazole","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","2","","Dutta, Sanjay; ., Vikas; Yadav, Ashok; Ramamoorthy, Boomishankar; Bala, Anu; Kumar, Vijay; Chakraborty, Tirthankar; Elizabeth, Suja; Munshi, Parthapratim","Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism","Chemical Communications","2019","","","","","10.1039/C9CC04434E","","","0.71073","MoKα","","0.0633","0.0406","","","0.0853","0.0982","","","","","","1.046","","","","has coordinates","216903","2020-10-21","18:00:00",""
"7124802","12.347","0.003","12.347","0.003","18.073","0.004","90","","90","","90","","2755.2","1.1","173.15","","173.15","","","","","","","","","5","P 41","P 4w","76","","","","- C31 H29 Br2 N O4 -","- C31 H29 Br2 N O4 -","- C124 H116 Br8 N4 O16 -","4","1","","Li, Meng; Lu, Hai-Yan; Zhang, Chao; Shi, Lin; Tang, Zhiyong; Chen, Chuan-Feng","Helical aromatic imide based enantiomers with full-color circularly polarized luminescence.","Chemical communications (Cambridge, England)","2016","52","64","9921","9924","10.1039/c6cc04674f","","","0.71073","MoKα","","0.0707","0.0645","","","0.1466","0.151","","","","","","1.1","","","","has coordinates","234242","2020-10-21","18:00:00",""
"7126044","21.268","0.0004","21.268","0.0004","14.3108","0.0004","90","","90","","90","","6473.2","0.2","150","0.1","150","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C52.24 H46.48 Cl4.48 P4 Rh2 -","- C52.2666 H46.5332 Cl4.5332 P4 Rh2 -","- C209.066 H186.133 Cl18.1328 P16 Rh8 -","4","1","","Hill, Anthony; Sharma, Manab; Sinha, Arup; Ward, Jas S.; Frogley, Benjamin","Semi-bridging σ-Silyls as Z-type Ligands","Chemical Communications","2020","","","","","10.1039/C9CC07763D","","x-ray","0.71073","MoKα","","0.0833","0.0594","","","0.1562","0.1815","","","","","","1.089","","","","has coordinates","248299","2020-10-21","18:00:00",""
"7126184","15.82204","0.00012","15.82204","0.00012","44.7484","0.0004","90","","90","","90","","11202.2","0.16","169.99","0.11","169.99","0.11","","","","","","","","4","P 41","P 4w","76","","","","- C38 H23 N3 O2 -","- C38 H23 N3 O2 -","- C608 H368 N48 O32 -","16","4","","Zhang, Liang; Li, Meng; Gao, Qing-Yu; Chen, Chuan-Feng","An ultralong room-temperature phosphorescent material based on the combination of small singlet-triplet splitting energy and H-aggregation.","Chemical communications (Cambridge, England)","2020","56","31","4296","4299","10.1039/c9cc09636a","","x-ray","1.54184","CuKα","","0.0599","0.0463","","","0.1147","0.1278","","","","","","1.038","","","","has coordinates","251577","2020-10-21","18:00:00",""
"7126463","12.7376","0.0009","12.7376","0.0009","22.3806","0.0015","90","","90","","90","","3631.2","0.4","159","2","159","2","","","","","","","","4","P 41","P 4w","76","","","","- C37 H59 Al N4 -","- C37 H59 Al N4 -","- C148 H236 Al4 N16 -","4","1","","Xiao, Lin; Chen, Weixing; Shen, Lingyi; Liu, Li; Xue, Yujie; Zhao, Yanxia; Yang, Xiao-Juan","Reduction of carbodiimides by a dialumane through insertion and cycloaddition.","Chemical communications (Cambridge, England)","2020","56","47","6352","6355","10.1039/d0cc02048f","","","0.71073","MoKα","","0.0427","0.0356","","","0.0837","0.0881","","","","","","1.06","","","","has coordinates","253806","2020-10-21","18:00:00",""
"7127311","15.4027","0.0008","15.4027","0.0008","32.0302","0.0016","90","","90","","90","","7598.9","0.7","103","2","103","2","","","","","","","","6","P 41","P 4w","76","","","","- C39 H52 Cl2 Co N P3 -","- C39 H52 Cl2 Co N P3 -","- C312 H416 Cl16 Co8 N8 P24 -","8","2","","Wang, Fang; Cannon, Austin T.; Bhattacharya, Moumita; Baumgarten, Robert; VanderLinden, Ryan T.; Saouma, Caroline T.","Hydrogenation and electrocatalytic reduction of carbon dioxide to formate with a single Co catalyst.","Chemical communications (Cambridge, England)","2020","56","81","12142","12145","10.1039/d0cc04310a","","","0.71073","MoKα","","0.0358","0.0286","","","0.0573","0.0595","","","","","","1.002","","","","has coordinates","260621","2021-01-07","04:36:18",""
"7128755","14.8873","0.0003","14.8873","0.0003","13.6624","0.0004","90","","90","","90","","3028.02","0.12","223","100","223","100","","","","","","","","6","P 41","P 4w","76","","","","- C33 H23 F3 N2 O3 S -","- C33 H23 F3 N2 O3 S -","- C132 H92 F12 N8 O12 S4 -","4","1","","Yan, Ru-Jie; Liu, Bao-Xin; Hu, Yuan; Du, Wei; Chen, Ying-Chun","Generation of zwitterionic trifluoromethyl <i>N</i>-allylic ylides and their use in switchable divergent annulations.","Chemical communications (Cambridge, England)","2021","57","72","9056","9059","10.1039/d1cc03830c","","x-ray","1.54184","CuKα","","0.0798","0.0789","","","0.1983","0.2009","","","","","","1.055","","","","has coordinates","269663","2021-10-06","14:02:47",""
"7129046","14.1893","0.0005","14.1893","0.0005","37.5042","0.0015","90","","90","","90","","7551","0.5","100","2","100","","","","","","","","","5","P 41","P 4w","76","","","","- C76 H110 Bi2 O2 Sn4 -","- C76 H110 Bi2 O2 Sn4 -","- C304 H440 Bi8 O8 Sn16 -","4","1","","Steller, Beate G.; Flock, Michaela; Fischer, Roland C.","From organotin hydrides to heteronuclear main group metal compounds: isolation of the first neutral bismuth/tin clusters.","Chemical communications (Cambridge, England)","2021","57","78","10095","10098","10.1039/d1cc02538d","","x-ray","0.71073","MoKα","","0.0565","0.0509","","","0.1147","0.1172","","","","","","1.064","","","","has coordinates","269402","2021-09-30","21:58:38",""
"7131092","8.51937","0.00012","8.51937","0.00012","22.6198","0.0005","90","","90","","90","","1641.74","0.05","125.01","0.1","125.01","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C17 H20 N2 O4 S -","- C17 H20 N2 O4 S -","- C68 H80 N8 O16 S4 -","4","1","","Aimon, Anthony; Dow, Mark J.; Hanby, Abigail R.; Okolo, Ephraim A.; Pask, Christopher M.; Nelson, Adam; Marsden, Stephen P.","Synthesis of spirocyclic 1,2-diamines by dearomatising intramolecular diamination of phenols.","Chemical communications (Cambridge, England)","2023","59","5","607","610","10.1039/d2cc06137f","","x-ray","1.54184","CuKα","","0.044","0.0378","","","0.0852","0.0892","","","","","","1.014","","","","has coordinates","281327","2023-03-04","17:42:56",""
"7131130","15.898","0.0006","15.898","0.0006","6.4937","0.0004","90","","90","","90","","1641.26","0.13","113.15","","113.15","","","","","","","","","4","P 41","P 4w","76","","Isosorbide mononitrate","","- C6 H9 N O6 -","- C6 H9 N O6 -","- C48 H72 N8 O48 -","8","2","","Lin, Jiawei; Cao, Yuechao; Liu, Yanbo; Li, Maolin; Chen, Yifu; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Structural origins of two-dimensional elastic bending in a nonaromatic organic molecular crystal.","Chemical communications (Cambridge, England)","2023","59","5","619","622","10.1039/d2cc05169a","","x-ray","0.71073","MoKα","","0.071","0.0472","","","0.0952","0.1092","","","","","","1.081","","","","has coordinates","281326","2023-03-04","17:42:30",""
"7131458","5.3375","0.0006","5.3375","0.0006","52.802","0.009","90","","90","","90","","1504.3","0.4","90","0.5","90","0.5","","","","","","","","4","P 41","P 4w","76","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","He, Xuxian; Thompson, Richard R.; Clawson, Sarah A.; Fronczek, Frank R.; Lee, Semin","Anion receptors with nitrone C-H hydrogen bond donors.","Chemical communications (Cambridge, England)","2023","59","31","4624","4627","10.1039/d3cc00371j","","","0.71073","MoKα","","0.0494","0.0484","","","0.1189","0.1193","","","","","","1.161","","","","has coordinates","283093","2023-05-05","00:25:59",""
"7152462","16.0394","0.0003","16.0394","0.0003","21.4724","0.0006","90","","90","","90","","5524","0.2","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C47 H77 Cl5 O15 -","- C47 H77 Cl5 O15 -","- C188 H308 Cl20 O60 -","4","1","","Paterson, Ian; Anderson, Edward A.; Dalby, Stephen M.; Lim, Jong Ho; Maltas, Philip","The stereocontrolled total synthesis of spirastrellolide A methyl ester. Fragment coupling studies and completion of the synthesis.","Organic & biomolecular chemistry","2012","10","30","5873","5886","10.1039/c2ob25101a","","","0.71073","MoKα","","0.0637","0.0508","","","0.1168","0.1239","","","","","","1.083","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7153924","9.76204","0.00004","9.76204","0.00004","31.9566","0.0002","90","","90","","90","","3045.38","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 41","P 4w","76","","","","- C34 H34 Cl N3 Ni O4 -","- C34 H34 Cl N3 Ni O4 -","- C136 H136 Cl4 N12 Ni4 O16 -","4","1","","Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Moriwaki, Hiroki; Sato, Tatsunori; Aceña, José Luis; Soloshonok, Vadim A.","Design and synthesis of (S)- and (R)-α-(phenyl)ethylamine-derived NH-type ligands and their application for the chemical resolution of α-amino acids.","Organic & biomolecular chemistry","2014","12","32","6239","6249","10.1039/c4ob00669k","","x-ray","1.54184","CuKα","","0.0263","0.0262","","","0.0698","0.0699","","","","","","1.115","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154122","13.4574","0.0005","13.4574","0.0005","23.307","0.002","90","","90","","90","","4220.9","0.4","293","","293","","","","","","","","","4","P 41","P 4w","76","","bicyclo[3.3.1]nonane-2,6-dione","","- C50 H43 N8 O4 -","- C50 H43 N8 O4 -","- C200 H172 N32 O16 -","4","1","","Wixe, Torbjörn; Christensen, Niels Johan; Lidin, Sven; Fristrup, Peter; Wärnmark, Kenneth","A short designed semi-aromatic organic nanotube - synthesis, chiroptical characterization, and host properties.","Organic & biomolecular chemistry","2014","12","44","8930","8941","10.1039/c4ob01683a","","x-ray","0.71073","MoKα","","0.3349","0.0834","","","0.1437","0.2336","","","","1.71","1.71","1.16","","","","has coordinates","201208","2020-10-21","18:00:00",""
"7155347","10.237","0.0003","10.237","0.0003","16.675","0.0004","90","","90","","90","","1747.48","0.08","298","2","298","2","","","","","","","","5","P 41","P 4w","76","F-THENA","8-Fluoro-1,2,3,4-tetrahydro-1,4-epoxynaphthalene-1-carboxylic acid","","- C20 H20 F N O3 -","- C20 H20 F N O3 -","- C80 H80 F4 N4 O12 -","4","1","","Dolsophon, Kulvadee; Soponpong, Jakapun; Kornsakulkarn, Jittra; Thongpanchang, Chawanee; Prabpai, Samran; Kongsaeree, Palangpon; Thongpanchang, Tienthong","F-THENA: a chiral derivatizing agent for the determination of the absolute configuration of secondary aromatic alcohols with a self-validating system.","Organic & biomolecular chemistry","2016","14","46","11002","11012","10.1039/c6ob02255c","","x-ray","0.71073","MoKα","","0.046","0.0394","","","0.0905","0.0953","","","","","","1.049","","","","has coordinates","190252","2020-10-21","18:00:00",""
"7155886","12.4015","0.0003","12.4015","0.0003","44.3208","0.0011","90","","90","","90","","6816.4","0.3","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C39.5 H25.65 Cl4.35 N2 O2 -","- C39.5 H25.6525 Cl4.3475 N2 O2 -","- C316 H205.22 Cl34.78 N16 O16 -","8","2","","Ikai, Tomoyuki; Wada, Yuya; Awata, Seiya; Yun, Changsik; Maeda, Katsuhiro; Mizuno, Motohiro; Swager, Timothy M.","Chiral triptycene-pyrene π-conjugated chromophores with circularly polarized luminescence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02046E","","","1.54178","CuKα","","0.0727","0.0723","","","0.1932","0.1935","","","","","","1.146","","","","has coordinates,has disorder","201098","2020-10-21","18:00:00",""
"7156360","10.1392","0.0004","10.1392","0.0004","28.1205","0.0016","90","","90","","90","","2890.9","0.2","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C128 H112 Cl8 N8 O16 -","8","2","","Shao, Ling-Yan; Xu, Zhi; Wang, Cun-Ying; Fu, Xiao-Pan; Chen, Miao-Miao; Liu, Hong-Wei; Ji, Ya-Fei","Palladium-catalyzed direct mono-aroylation of O-arylmethyl and aryl-substituted acetoxime ethers.","Organic & biomolecular chemistry","2018","16","34","6284","6294","10.1039/c8ob01400k","","","1.54178","CuKα","","0.0531","0.039","","","0.0943","0.101","","","","","","1.021","","","","has coordinates","230861","2020-10-21","18:00:00",""
"7156367","8.1375","0.0004","8.1375","0.0004","22.67","0.0015","90","","90","","90","","1501.18","0.14","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C17 H10 Cl F2 N O2 -","- C17 H10 Cl F2 N O2 -","- C68 H40 Cl4 F8 N4 O8 -","4","1","","Sun, Zhou; Xiang, Kuirong; Tao, Hua; Guo, Liqun; Li, Ying","Synthesis of 2-substituted 3-chlorobenzofurans via TMSCl-mediated nucleophilic annulation of isatin-derived propargylic alcohols.","Organic & biomolecular chemistry","2018","16","33","6133","6139","10.1039/c8ob01731j","","","1.54184","CuKα","","0.0403","0.0368","","","0.0941","0.0986","","","","","","1.05","","","","has coordinates","230655","2020-10-21","18:00:00",""
"7156593","11.1159","0.0003","11.1159","0.0003","18.9404","0.0012","90","","90","","90","","2340.34","0.17","223","2","223","2","","","","","","","","5","P 41","P 4w","76","","(R)-1-(4-bromobutan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione","","- C9 H13 Br N2 O2 -","- C9 H13 Br N2 O2 -","- C72 H104 Br8 N16 O16 -","8","2","","Lee, Su-Jeong; Ahn, Jun-Gi; Seo, Jihwan; Ha, Heun-Jong; Cho, Chang-Woo","Organocatalytic enantioselective synthesis of acyclic pyrimidine nucleosides by aza-Michael reaction.","Organic & biomolecular chemistry","2018","16","48","9477","9486","10.1039/c8ob02754d","","","0.71073","MoKα","","0.1324","0.0814","","","0.2077","0.2452","","","","","","1.037","","","","has coordinates","230771","2020-10-21","18:00:00",""
"7157842","10.235","0.002","10.235","0.002","23.295","0.012","90","","90","","90","","2440.3","1.4","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C26 H18 Br N3 O2 S -","- C26 H18 Br N3 O2 S -","- C104 H72 Br4 N12 O8 S4 -","4","1","","Wang, Wenyao; Wei, Shiqiang; Bao, Xiaoze; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Enantioselective [3 + 2] annulation of 4-isothiocyanato pyrazolones and alkynyl ketones under organocatalysis.","Organic & biomolecular chemistry","2021","19","5","1145","1154","10.1039/d0ob02423f","","","0.71073","MoKα","","0.0987","0.0488","","","0.1038","0.1213","","","","","","0.951","","","","has coordinates","262705","2021-03-05","02:23:20",""
"7158239","9.5302","0.0003","9.5302","0.0003","19.3236","0.0005","90","","90","","90","","1755.06","0.09","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C19 H17 F N2 O5 -","- C19 H17 F N2 O5 -","- C76 H68 F4 N8 O20 -","4","1","","Chen, Huiqing; Tang, Jie; Liu, Ting; Yu, Li-Fang; Xing, Dong; Yang, Fan","Enantioselective synthesis of chiral 3-alkyl-3-nitro-4-chromanones via chiral thiourea-catalysed intramolecular Michael-type cyclization.","Organic & biomolecular chemistry","2021","19","34","7403","7408","10.1039/d1ob01296g","","","1.54178","CuKα","","0.0307","0.029","","","0.0713","0.0726","","","","","","1.048","","","","has coordinates","268949","2021-09-06","12:32:25",""
"7200663","16.249","0.006","16.249","0.006","22.54","0.01","90","","90","","90","","5951","4","173","2","173","2","","","","","","","","3","P 41","P 4w","76","","","","- C68 H66 O17 -","- C68 H66 O17 -","- C272 H264 O68 -","4","1","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1952","0.1143","","","0.2863","0.3441","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204977","9.626","0.001","9.626","0.001","47.354","0.011","90","","90","","90","","4387.8","1.2","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","(3R,4S,1'S)-1-Benzyl-3-(1-benzyloxycarbonylamino)ethyl]-4-(2-furyl)- azetidin-2-one","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C192 H192 N16 O32 -","8","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.093","0.0535","","0.1032","0.0859","","","","1.107","1.213","1.213","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7205062","14.1154","0.0002","14.1154","","47.0311","0.0004","90","","90","","90","","9370.69","0.15","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C78 H108 Gd2 N4 O50 S8 -","- C78 H108 Gd2 N4 O50 S8 -","- C312 H432 Gd8 N16 O200 S32 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Byrne, Lindsay T.; Raston, Colin L.","Supramolecular architecture containing end-capping bis-imidazolium cations","CrystEngComm","2011","13","3","787","","10.1039/c002787a","","","1.54178","CuKα","","0.071","0.0701","","","0.1831","0.1841","","","","","","1.004","","","","has coordinates,has disorder","180381","2020-10-21","18:00:00",""
"7206534","10.3197","0.0004","10.3197","0.0004","14.0444","0.001","90","","90","","90","","1495.68","0.13","120","2","120","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H15 Gd O8 -","- C13 H15 Gd O8 -","- C52 H60 Gd4 O32 -","4","1","","Xie, Lin-Hua; Wang, Yu; Liu, Xiao-Min; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Crystallographic studies into the role of exposed rare earth metal ion for guest sorption","CrystEngComm","2011","13","19","5849","","10.1039/c1ce05468f","","","0.71073","MoKα","","0.0275","0.0256","","","0.0513","0.0519","","","","","","1.026","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7207427","9.052","0.005","9.052","0.005","15.156","0.005","90","","90","","90","","1241.9","1.1","120","2","120","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H10 F3 N O -","- C14 H10 F3 N O -","- C56 H40 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Role of intermolecular interactions involving organic fluorine in trifluoromethylated benzanilides","CrystEngComm","2012","14","6","1972","","10.1039/c2ce06254b","","","0.71073","MoKα","","0.0438","0.0334","","","0.0714","0.0742","","","","","","1.014","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207854","12.797","0.0005","12.797","0.0005","39.098","0.0018","90","","90","","90","","6402.8","0.5","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C46 H38 Cu2 I4 N3 O10 -","- C32 H19 Cu2 I4 N3 O8 -","- C128 H76 Cu8 I16 N12 O32 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Raithby, Paul R.; Warren, Anna J.; Teat, Simon J.; Warren, John E.","The effect of carboxylate and N,N′-ditopic ligand lengths on the structures of copper and zinc coordination polymers","CrystEngComm","2012","14","10","3658","","10.1039/c2ce06709a","","","0.71073","MoKα","","0.1056","0.0786","","","0.2418","0.2617","","","","","","1.078","","","","has coordinates,has disorder","180409","2020-10-21","18:00:00",""
"7207924","12.335","0.004","12.335","0.004","5.265","0.003","90","0.005","90","0.005","90","0.005","801.1","0.6","100","2","100","2","","","","","","","synthesis as described","6","P 41","P 4w","76","","","","- C5 H9 Co N O6 S -","- C5 H7 Co N O5.5 S -","- C20 H28 Co4 N4 O22 S4 -","4","1","","Rossin, Andrea; Di Credico, Barbara; Giambastiani, Giuliano; Peruzzini, Maurizio; Pescitelli, Gennaro; Reginato, Gianna; Borfecchia, Elisa; Gianolio, Diego; Lamberti, Carlo; Bordiga, Silvia","Synthesis, characterization and CO2 uptake of a chiral Co(ii) metal‒organic framework containing a thiazolidine-based spacer","Journal of Materials Chemistry","2012","22","20","10335","","10.1039/c2jm16236a","","x-ray","0.71069","MoKα","","0.0333","0.028","","","0.061","0.0627","","","","","","0.996","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7209727","7.5385","0.00001","7.5385","0.00001","22.7308","0.0001","90","","90","","90","","1291.77","0.006","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.033","0.0298","","","0.0632","0.0649","","","","","","1.004","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209805","11.9456","0.0001","11.9456","0.0001","16.2905","0.0004","90","","90","","90","","2324.61","0.06","173","2","173","2","","","","","","","","8","P 41","P 4w","76","","","","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C64 H104 Br8 Cu4 N8 O8 S8 Si4 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.0736","0.0585","","","0.1426","0.1613","","","","","","0.999","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7211171","10.5609","0.0006","10.5609","0.0006","22.641","0.0016","90","","90","","90","","2525.2","0.3","180","2","180","2","","","","","","","","5","P 41","P 4w","76","","","","- C25.5 H22 Co2 Cu O9.5 -","- C25.5 H22 Co2 Cu O9.5 -","- C102 H88 Co8 Cu4 O38 -","4","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","x-ray","0.71073","MoKα","","0.0668","0.0454","","","0.1081","0.1153","","","","","","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211172","10.5985","0.0012","10.5985","0.0012","20.4","0.003","90","","90","","90","","2291.5","0.5","180","2","180","2","","","","","","","","5","P 41","P 4w","76","","","","- C24.5 H18 Co2 Cu O8.5 -","- C24.5 H18 Co2 Cu O8.5 -","- C98 H72 Co8 Cu4 O34 -","4","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","x-ray","0.71073","MoKα","","0.1071","0.0765","","","0.224","0.2422","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211333","10.9931","0.0005","10.9931","0.0005","18.085","0.0009","90","","90","","90","","2185.54","0.18","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0325","0.0316","","","0.0836","0.0849","","","","","","1.01","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211337","10.9902","0.0001","10.9902","0.0001","18.094","0.003","90","","90","","90","","2185.5","0.4","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0294","0.0292","","","0.0807","0.0807","","","","","","1.023","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7212767","9.0723","0.001","9.0723","0.001","27.01","0.004","90","","90","","90","","2223.1","0.5","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C23 H20 Cd N6 O6 -","- C23 H16 Cd N6 O6 -","- C92 H64 Cd4 N24 O24 -","4","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0321","0.031","","","0.0665","0.067","","","","","","1.083","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7216883","9.649","0.001","9.649","0.001","20.808","0.001","90","","90","","90","","1937.3","0.3","290","2","290","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H24 N2 O6 S2 -","- C16 H24 N2 O6 S2 -","- C64 H96 N8 O24 S8 -","4","1","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.0936","0.0665","","","0.1805","0.1912","","","","","","1.063","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7220140","9.042","0.003","9.042","0.003","27.231","0.019","90","","90","","90","","2226.3","1.9","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C23 H18 Cd N6 O6 -","- C23 H16 Cd N6 O6 -","- C92 H64 Cd4 N24 O24 -","4","1","","Hua, Ji-Ai; Zhao, Yue; Zhao, Dan; Kang, Yan-Shang; Chen, Kai; Sun, Wei-Yin","Functional group effects on structure and topology of cadmium(II) frameworks with mixed organic ligands","RSC Adv.","2015","","","","","10.1039/C5RA06072A","","","0.71073","MoKα","","0.0211","0.0206","","","0.0585","0.0588","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7228032","12.8","0.003","12.8","0.003","9.984","0.005","90","","90","","90","","1635.8","1","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H14 N2 O4 Zn -","- C11 H14 N2 O4 Zn -","- C44 H56 N8 O16 Zn4 -","4","1","","Duan, Jingui; Zou, Changchang; Li, Qianqian; Cheng, Fujun; Wang, Haijun; Jin, Wanqin","Homochiral porous coordination polymers with rare utk topology and two kinds of uniform channels for enantioseparation","CrystEngComm","2017","","","","","10.1039/C7CE00522A","","","0.71073","MoKα","","0.0632","0.0529","","","0.1297","0.1348","","","","","","1.005","","","","has coordinates","195272","2020-10-21","18:00:00",""
"7232146","11.8565","0.0005","11.8565","0.0005","24.0309","0.0013","90","","90","","90","","3378.2","0.3","100","2","100","","","","","","","","","4","P 41","P 4w","76","","","","- C16 H29 N3 O2 -","- C16 H29 N3 O2 -","- C128 H232 N24 O16 -","8","2","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.0418","0.0366","","","0.0741","0.0763","","","","","","1.072","","","","has coordinates,has disorder","224637","2020-10-21","18:00:00",""
"7232901","13.5532","0.0012","13.5532","0.0012","46.356","0.003","90","","90","","90","","8515.1","1.2","298","2","298","2","","","","","","","","8","P 41","P 4w","76","","","","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C88 H64 Cu2 F6 N8 O6 P4 S2 -","- C352 H256 Cu8 F24 N32 O24 P16 S8 -","4","1","","Zhu, Ning; Wang, Guo; Lin, Sen; Li, Zhong-Feng; Xin, Xiu-Lan; Yang, Yu-Ping; Liu, Min; Jin, Qiong-Hua","New discovery in crystallography: correlation of terahertz time-domain spectra with crystal structures and photoluminescence properties of mononuclear/binuclear diimine‒Cu(i)-phosphine complexes","CrystEngComm","2019","21","29","4275","","10.1039/C9CE00729F","","","0.71073","MoKα","","0.1969","0.0904","","","0.1551","0.1731","","","","","","1.081","","","","has coordinates,has disorder","223466","2020-10-21","18:00:00",""
"7238095","6.7802","0.0009","6.7802","0.0009","27.425","0.007","90","","90","","90","","1260.8","0.4","100","0.2","100","0.2","","","","","","","","3","P 41","P 4w","76","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0436","0.0422","","","0.0986","0.0993","","","","","","1.224","","","","has coordinates","244066","2020-10-21","18:00:00",""
"7238632","15.6484","0.0001","15.6484","0.0001","36.3862","0.0005","90","","90","","90","","8909.98","0.15","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C64 H52 Cd4 N2 O26 Si2 -","- C64 H52 Cd4 N2 O26 Si2 -","- C256 H208 Cd16 N8 O104 Si8 -","4","1","","Zhao, Xiaoliang; Zhang, Liangliang; Ma, Huiqing; Sun, Di; Wang, Dengxu; Feng, Shengyu; Sun, Daofeng","Solvent-controlled Cd(ii) metal‒organic frameworks constructed from a tetrapodal silicon-based linker","RSC Advances","2012","2","13","5543","","10.1039/c2ra20384g","","","0.71073","MoKα","","0.0523","0.0435","","","0.1042","0.1082","","","","","","0.987","","","","has coordinates","244265","2020-10-21","18:00:00",""
"7239470","15.0637","0.0012","15.0637","0.0012","10.8379","0.0012","90","","90","","90","","2459.3","0.4","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C15 H21 Ag3 N2 Ni O13 -","- C15 H21 Ag3 N2 Ni O13 -","- C60 H84 Ag12 N8 Ni4 O52 -","4","1","","Zhang, Qi-Long; Feng, Guang-Wei; Zhang, Yun-Qian; Zhu, Bi-Xue","Syntheses, structures, and luminescence properties of anion-controlled heterometal modular coordination polymers based on a metalloligand","RSC Advances","2014","4","22","11384","","10.1039/c3ra47303a","","","0.71073","MoKα","","0.058","0.0385","","","0.0768","0.0841","","","","","","0.988","","","","has coordinates","244724","2020-10-21","18:00:00",""
"7239545","26.07","0.005","26.07","0.005","18.601","0.005","90","","90","","90","","12642","5","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C110 H184 Cu4 N14 O44 -","- C54 H30 Cu4 N2 O18 -","- C216 H120 Cu16 N8 O72 -","4","1","","He, Wen-Wen; Li, Shun-Li; Li, Wen-Liang; Li, Ji-Sen; Yang, Guang-Sheng; Zhang, Shu-Ran; Lan, Ya-Qian; Shen, Ping; Su, Zhong-Min","Multipoint interactions enhanced H2 storage and organosulfur removal in a microporous metal‒organic framework","Journal of Materials Chemistry A","2013","1","37","11111","","10.1039/c3ta12662e","","","0.71069","MoKα","","0.0937","0.0795","","","0.2109","0.22","","","","","","1.127","","","","has coordinates","244762","2020-10-21","18:00:00",""
"7240268","11.7246","0.0002","11.7246","0.0002","27.1515","0.0004","90","","90","","90","","3732.41","0.11","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0685","0.0621","","","0.1663","0.1728","","","","","","1.091","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240269","11.6632","0.0002","11.6632","0.0002","27.4472","0.0009","90","","90","","90","","3733.65","0.15","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","1.54186","CuKα","","0.0892","0.0409","","","0.0756","0.0918","","","","","","0.833","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240271","11.6433","0.0004","11.6433","0.0004","27.2378","0.0012","90","","90","","90","","3692.5","0.2","295","2","295","","","","","","","","","6","P 41","P 4w","76","","","","- C22 H14 Cl F N2 O2 -","- C22 H14 Cl F N2 O2 -","- C176 H112 Cl8 F8 N16 O16 -","8","2","","Filatov, Vadim; Kukushkin, Maksim; Kuznetsova, Juliana; Skvortsov, Dmitry; Tafeenko, Viktor; Zyk, Nikolay; Majouga, Alexander; Beloglazkina, Elena","Synthesis of 1,3-diaryl-spiro[azetidine-2,3′-indoline]-2′,4-diones via the Staudinger reaction: cis- or trans-diastereoselectivity with different addition modes","RSC Advances","2020","10","24","14122","14133","10.1039/D0RA02374D","","","0.71073","MoKα","","0.21","0.0864","","","0.1717","0.2662","","","","","","0.929","","","","has coordinates","257965","2020-10-21","18:00:00",""
"7240296","11.0533","0.0006","11.0533","0.0006","31.3156","0.0016","90","","90","","90","","3826","0.4","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H40 Co3 N6 O17 -","- C33 H40 Co3 N6 O17 -","- C132 H160 Co12 N24 O68 -","4","1","","Jiang, Zhenzhen; Zhou, Ping; Xu, Tingting; Fan, Lihui; Hu, Simin; Chen, Jingxian; He, Yabing","Two Co-based MOFs assembled from an amine-functionalized pyridinecarboxylate ligand: inorganic acid-directed structural variety and gas adsorption properties","CrystEngComm","2020","","","","","10.1039/D0CE00475H","","","0.71073","MoKα","","0.0426","0.04","","","0.0999","0.1026","","","","","","1.072","","","","has coordinates,has disorder","250675","2020-10-21","18:00:00",""
"7241204","12.9682","0.0009","12.9682","0.0009","30.798","0.003","90","","90","","90","","5179.4","0.7","200","2","200","2","","","","","","","synthesis","5","P 41","P 4w","76","","cyclo(Chg-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).H2O.2DMA","","- C46 H74 N10 O9 S2 -","- C46 H74 N10 O9 S2 -","- C184 H296 N40 O36 S8 -","4","1","","Asano, Akiko; Minoura, Katsuhiko; Kojima, Yuki; Yoshii, Taishi; Ito, Ryoya; Yamada, Takeshi; Kato, Takuma; Doi, Mitsunobu","NMR-based quantitative studies of the conformational equilibrium between their square and folded forms of ascidiacyclamide and its analogues","RSC Advances","2020","10","55","33317","33326","10.1039/D0RA07396B","","","0.71073","MoKα","","0.0907","0.0799","","","0.2149","0.2243","","","","","","1.034","","","","has coordinates","257992","2020-10-21","18:00:00",""
"7241209","21.255","0.003","21.255","0.003","10.872","0.0008","90","","90","","90","","4911.7","1","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C26 H18 O5 Pb2 -","- C26 H18 O5 Pb2 -","- C208 H144 O40 Pb16 -","8","2","","Hammer, Arden C.; Jia, Xiwen; Zeller, Matthias; Coughlin, Ezra John; Zhang, Weiguo; Oertel, Catherine M.","Ligand Geometry Directs the Packing and Symmetry of One-Dimensional Helical Motifs in Lead Oxide Naphthoates and Biphenylcarboxylates","CrystEngComm","2020","","","","","10.1039/D0CE01150A","","","0.71073","MoKα","","0.0623","0.0335","","","0.068","0.0746","","","","","","0.956","","","","has coordinates,has disorder","256335","2020-10-21","18:00:00",""
"7242179","10.8776","0.0004","10.8776","0.0004","20.4184","0.0007","90","","90","","90","","2415.95","0.15","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C9 H34 N10 O8 S2 -","- C9 H34 N10 O8 S2 -","- C36 H136 N40 O32 S8 -","4","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0268","0.0254","","","0.062","0.0628","","","","","","1.09","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242574","17.1647","0.0006","17.1647","0.0006","23.1194","0.0011","90","","90","","90","","6811.6","0.5","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C312 H240 N96 O24 -","24","6","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0692","0.0545","","","0.1257","0.1386","","","","","","1.048","","","","has coordinates","265942","2021-06-05","18:07:34",""
"7242857","11.0865","0.0015","11.0865","0.0015","16.544","0.005","90","","90","","90","","2033.4","0.7","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0715","0.0551","","","0.1202","0.1248","","","","","","1.024","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7243679","18.5799","0.0005","18.5799","0.0005","42.3462","0.0013","90","","90","","90","","14618.4","0.7","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C64 H60 N14 Ni2 O29 U2 -","- C64 H42 N14 Ni2 O29 U2 -","- C512 H336 N112 Ni16 O232 U16 -","8","2","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0383","0.036","","","0.08","0.081","","","","","","1.159","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7246874","7.811","0.004","7.811","","23.699","0.008","90","","90","","90","","1445.9","0.9","300","","300","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H12 Cl N3 Se -","- C16 H12 Cl N3 Se -","- C64 H48 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0348","0.0331","","","0.0858","0.0866","","","","","","1.114","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7247663","9.4645","0.0001","9.4645","0.0001","17.316","0.0004","90","","90","","90","","1551.11","0.04","100","","100","","","","","","","","","4","P 41","P 4w","76","","","","- C4 H10 Mo O6 -","- C4 H10 Mo O6 -","- C32 H80 Mo8 O48 -","8","2","","George, Tanner; Brosseau, Christa L.; Masuda, Jason D.","Electrochemical and X-ray structural evidence of multiple molybdenum precursor candidates from a reported non-aqueous electrodeposition of molybdenum disulfide","RSC Advances","2023","13","46","32199","32216","10.1039/D3RA04605B","","","0.71073","MoKα","","0.0223","0.0208","","","0.0508","0.0518","","","","","","1.101","","","","has coordinates","287242","2023-11-02","02:30:45",""
"7701569","8.7821","0.0001","8.7821","0.0001","21.8367","0.0006","90","","90","","90","","1684.16","0.05","100","2","100.01","0.1","","","","","","","","5","P 41","P 4w","76","","(2?-(2??-pyridyl)phenolato)-9-borafluorene","","- C23 H16 B N O -","- C23 H16 B N O -","- C92 H64 B4 N4 O4 -","4","1","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","1.54184","CuKα","","0.0408","0.0384","","","0.0959","0.0986","","","","","","1.069","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7702072","8.344","0.001","8.344","","44.637","0.006","90","","90","","90","","3107.7","0.6","90","2","90","2","","","","","","","","5","P 41","P 4w","76","","","","- C32 H37 Cu N10 O8 -","- C32 H37 Cu N10 O8 -","- C128 H148 Cu4 N40 O32 -","4","1","","Ramogida, Caterina F.; Boros, Eszter; Patrick, Brian O.; Zeisler, Stefan K.; Kumlin, Joel; Adam, Michael J.; Schaffer, Paul; Orvig, Chris","Evaluation of H2CHXdedpa, H2dedpa- and H2CHXdedpa-N,N'-propyl-2-NI ligands for (64)Cu(ii) radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2016","45","33","13082","13090","10.1039/c6dt00932h","","","0.71073","MoKα","","0.0405","0.0371","","","0.0734","0.0746","","","","","","1.076","","","","has coordinates","234730","2020-10-21","18:00:00",""
"7702890","8.6074","0.0019","8.6074","0.0019","32.612","0.007","90","","90","","90","","2416.1","0.9","100","2","100","","","","","","","","","7","P 41","P 4w","76","Rubim_Cl","Rubim_Cl","","- C21 H17 Cl F6 N7 P Ru -","- C21 H17 Cl F6 N7 P Ru -","- C84 H68 Cl4 F24 N28 P4 Ru4 -","4","1","","Okamura, Masaya; Yoshida, Masaki; Kuga, Reiko; Sakai, Ken; Kondo, Mio; Masaoka, Shigeyuki","A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","42","13081","13089","10.1039/c2dt30773a","","","0.71073","MoKα","","0.0367","0.0325","","","0.0654","0.067","","","","","","1.099","","","","has coordinates","244220","2020-10-21","18:00:00",""
"7703632","10.03923","0.00005","10.03923","0.00005","21.99014","0.00018","90","","90","","90","","2216.3","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C25 H26 Au Cl N2 -","- C25 H26 Au Cl N2 -","- C100 H104 Au4 Cl4 N8 -","4","1","","Maliszewska, Hanna K.; Hughes, David L.; Muñoz, María Paz","Allene-derived gold and platinum complexes: synthesis and first applications in catalysis.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4034","4038","10.1039/d0dt00665c","","x-ray","0.71073","MoKα","","0.0138","0.013","","","0.0289","0.0291","","","","","","1.087","","","","has coordinates","250286","2020-10-21","18:00:00",""
"7706204","12.557","0.003","12.557","","25.933","0.006","90","","90","","90","","4089.1","1.4","100","2","100","2","","","","","","","","4","P 41","P 4w","76","","","","- C25 H20 N6 O -","- C25 H20 N6 O -","- C200 H160 N48 O8 -","8","2","","Gaire, Sanjay; Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Bis(pyridineylidene)isoindoline: an isoindoline chelate with a stretched electronic structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","826","829","10.1039/d0dt04347h","","","0.71073","MoKα","","0.2387","0.1284","","","0.2852","0.3539","","","","","","1.033","","","","has coordinates","261700","2021-02-04","23:20:36",""
"7706658","13.6127","0.0013","13.6127","0.0013","19.6051","0.0018","90","","90","","90","","3632.9","0.6","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H41 N7 O9 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","1","","Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina","Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3979","3989","10.1039/d0dt04190d","","","0.56086","AgKα","","0.0628","0.0543","","","0.1446","0.15","","","","","","1.09","","","","has coordinates,has disorder","263765","2021-04-05","14:50:47",""
"7706659","13.6439","0.0007","13.6439","0.0007","19.6066","0.001","90","","90","","90","","3649.9","0.3","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H41 N7 O9 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","1","","Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina","Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3979","3989","10.1039/d0dt04190d","","","0.56086","AgKα","","0.0582","0.0504","","","0.1417","0.1474","","","","","","1.071","","","","has coordinates,has disorder","263765","2021-04-05","14:50:48",""
"7706661","13.7346","0.0012","13.7346","0.0012","19.6084","0.0017","90","","90","","90","","3698.9","0.6","200","2","200","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H41 N7 O9 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","1","","Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina","Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3979","3989","10.1039/d0dt04190d","","","0.56086","AgKα","","0.051","0.0426","","","0.1174","0.1226","","","","","","1.094","","","","has coordinates,has disorder","263765","2021-04-05","14:50:48",""
"7706662","13.7729","0.0008","13.7729","0.0008","19.5804","0.0012","90","","90","","90","","3714.3","0.4","250","2","250","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H41 N7 O9 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","1","","Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina","Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3979","3989","10.1039/d0dt04190d","","","0.56086","AgKα","","0.0448","0.0376","","","0.1013","0.1054","","","","","","1.068","","","","has coordinates,has disorder","263765","2021-04-05","14:50:48",""
"7707935","11.4574","0.0011","11.4574","0.0011","24.066","0.004","90","","90","","90","","3159.2","0.7","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C32 H45 Br P Rh Si2 -","- C32 H45 Br P Rh Si2 -","- C128 H180 Br4 P4 Rh4 Si8 -","4","1","","Abeynayake, Niroshani S.; Zamora-Moreno, Julio; Gorla, Saidulu; Donnadieu, Bruno; Muñoz-Hernández, Miguel A; Montiel-Palma, Virginia","14-Electron Rh and Ir silylphosphine complexes and their catalytic activity in alkene functionalization with hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11783","11792","10.1039/d1dt00677k","","","0.71073","MoKα","","0.0172","0.0169","","","0.0405","0.0406","","","","","","1.051","","","","has coordinates","268812","2021-09-06","11:30:02",""
"7708011","16.1146","0.0012","16.1146","0.0012","44.024","0.005","90","","90","","90","","11432.2","1.8","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C56 H165 Cl4 Cu8 N8 O72 -","- C56 H165 Cl4 Cu8 N8 O72 -","- C224 H660 Cl16 Cu32 N32 O288 -","4","1","","Iman, Khushboo; Raza, Md Kausar; Ansari, Mursaleem; Monika, ?; Ansari, Azaj; Ahmad, Musheer; Ahamad, M. Naqi; Qasem, Khalil M. A.; Hussain, Sameer; Akhtar, Muhammad Nadeem; Shahid, M.","Novel {Cu<sub>4</sub>} and {Cu<sub>4</sub>Cd<sub>6</sub>} clusters derived from flexible aminoalcohols: synthesis, characterization, crystal structures, and evaluation of anticancer properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11941","11953","10.1039/d1dt00324k","","","0.71073","MoKα","","0.1077","0.0792","","","0.1741","0.1986","","","","","","1.074","","","","has coordinates","268815","2021-09-06","11:31:24",""
"7709646","10.6379","0.0001","10.6379","0.0001","73.8154","0.0008","90","","90","","90","","8353.31","0.14","130","0.1","130","0.1","","","","","","","","6","P 41","P 4w","76","","[2,6-Bis((R)-4-phenyl-4,5-dihydrooxazol-2-yl)pyridine]- [2,6-Bis(benzimidazol-2-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C44 H35 Cl2 Fe N9 O10 -","- C44 H35 Cl2 Fe N9 O10 -","- C352 H280 Cl16 Fe8 N72 O80 -","8","2","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.0759","0.0706","","","0.1558","0.1585","","","","","","1.129","","","","has coordinates","273443","2022-03-04","23:49:28",""
"7709716","10.952","0.0004","10.952","0.0004","11.9218","0.0005","90","","90","","90","","1429.98","0.1","193","2","193","2","","","","","","","","5","P 41","P 4w","76","","","","- C13 H19 Ag N2 O4 -","- C13 H19 Ag N2 O4 -","- C52 H76 Ag4 N8 O16 -","4","1","","Carrasco, Carlos J.; Montilla, Francisco; Alvarez González, Eleuterio; Galindo, Agustin; Pérez-Aranda, María; Pajuelo, Eloisa; Alcudia, Ana","Homochiral imidazolium-based dicarboxylate silver(I) compounds: synthesis, characterisation and antimicrobial properties","Dalton Transactions","2022","","","","","10.1039/D1DT04213K","","","0.71073","MoKα","","0.0147","0.014","","","0.0339","0.0347","","","","","","1.09","","","","has coordinates","273626","2022-03-11","00:05:12",""
"7711106","14.476","0.002","14.476","0.002","25.385","0.005","90","","90","","90","","5319.5","1.5","100","","100","","","","","","","","","5","P 41","P 4w","76","","","","- C55 H88 N O4 Ti -","- C55 H88 N O4 Ti -","- C220 H352 N4 O16 Ti4 -","4","1","","Okuda, Jun; Okumura, Akira; Ghana, Priyabrata; Fink, Fabian; Schmidt, Regina; Hoffmann, Alexander; Spaniol, Thomas Paul; Herres-Pawlis, Sonja","Formate Complexes of Tri- and Tetravalent Titanium Supported by a Tris(phenolato)amine Ligand","Dalton Transactions","2022","","","","","10.1039/D2DT01739C","","x-ray","0.71073","MoKα","","0.0885","0.0589","","","0.1473","0.1628","","","","","","1.034","","","","has coordinates,has disorder","277515","2022-08-31","23:00:17",""
"7713825","10.70621","0.00004","10.70621","0.00004","20.0986","0.0001","90","","90","","90","","2303.76","0.017","100","0.1","100","0.1","","","","","","","","5","P 41","P 4w","76","","","","- C25 H36 Cl Cr N -","- C25 H36 Cl Cr N -","- C100 H144 Cl4 Cr4 N4 -","4","1","","Horrer, Günther; Luff, Martin Simon; Radius, Udo","N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)","Dalton Transactions","2023","","","","","10.1039/D3DT02123H","","","1.54184","CuKα","","0.0379","0.0374","","","0.0992","0.0995","","","","","","1.109","","","","has coordinates,has disorder","285917","2023-08-30","23:02:48",""
"7715202","19.27277","0.00012","19.27277","0.00012","49.9982","0.0006","90","","90","","90","","18571.3","0.3","150","0.1","150","0.1","","","","","","","","6","P 41","P 4w","76","","","","- C102 H73 Cl2 O6 P8 Rh2 -","- C102 H73 Cl2 O6 P8 Rh2 -","- C816 H584 Cl16 O48 P64 Rh16 -","8","2","","Zhang, Jie; Hou, Yuanfeng; Liu, Shihua; Lin, Jieli; Li, Zhongshu","The case of a μ<sub>2</sub>-P aromatic phosphinine as a 4-electron donor forming σ- and π-three-center-two-electron bonds.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5608","5615","10.1039/d4dt00228h","","x-ray","1.54184","CuKα","","0.1049","0.0812","","","0.2162","0.2287","","","","","","1.122","","","","has coordinates,has disorder","290993","2024-04-04","23:42:59",""
"8000081","10.6905","0.0004","10.6905","0.0004","12.9823","0.0004","90","","90","","90","","1483.71","0.09","296","2","296","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H15 N4 O6 -","- C13 H15 N4 O6 -","- C52 H60 N16 O24 -","4","1","","Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji","An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals","The Journal of Physical Chemistry Letters","2011","2","24","3036","","10.1021/jz2014105","","","1.54178","CuKα","","0.0388","0.0384","","","0.0898","0.0905","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8101447","10.957","0.003","10.957","0.003","18.948","0.005","90","","90","","90","","2274.8","1.1","193","2","193","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H28 I2 Ni P2 -","- C18 H28 I2 Ni P2 -","- C72 H112 I8 Ni4 P8 -","4","1","","Frenzen, Gerlinde; Reim, Stefan; Sippel, Heike; Frauenrath, Herbert","Crystal structure of diiodo[(+)-1,2-bis((2S,5S)-2,5-dimethylphospholano) benzene-P,P']nickel, C~18~H~28~I~2~NiP~2~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","121","122","","","","","","","","0.0387","","","0.0743","","","","","","","","","","","has coordinates","201214","2020-10-21","18:00:00",""
"8101448","10.39","","10.39","","18.962","0.001","90","","90","","90","","2046.99","0.11","193","2","193","2","","","","","","","","5","P 41","P 4w","76","","","","- C18 H28 Cl2 Ni P2 -","- C18 H28 Cl2 Ni P2 -","- C72 H112 Cl8 Ni4 P8 -","4","1","","Frenzen, Gerlinde; Reim, Stefan; Sippel, Heike; Frauenrath, Herbert","Crystal structure of dichloro[(+)-1,2-bis((2S,5S)-2,5-dimethylphospholano) benzene-P,P']nickel, C~18~H~28~Cl~2~NiP~2~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","123","124","","","","","","","","0.0279","","","0.0664","","","","","","","","","","","has coordinates","201214","2020-10-21","18:00:00",""
"8105415","6.8614","0.0008","6.8614","0.0008","29.82","0.005","90","","90","","90","","1403.9","0.3","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C14 H19 Cl N2 O2 -","- C14 H19 Cl N2 O2 -","- C56 H76 Cl4 N8 O8 -","4","1","","García-Beltrán, Olimpo; Areche, Carlos; Galdámez, Antonio; Moris, Silvana","The crystal structure of 1-carboxy-2-(1H-indol-3-yl)-N,N,N-trimethylethan-1-ammonium chloride, C14H19N2O2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1183","1185","10.1515/ncrs-2020-0240","","","0.71073","MoKα","","0.0368","0.0311","","","0.0539","0.0549","","","","","","1.058","","","","has coordinates","276026","2022-06-14","09:30:55",""
"8105863","9.3897","0.0001","9.3897","0.0001","26.2753","0.0004","90","","90","","90","","2316.6","0.05","293","2","293","2","","","","","","","","7","P 41","P 4w","76","","","","- C27 H22 Cl F N2 O2 Sn -","- C27 H22 Cl F N2 O2 Sn -","- C108 H88 Cl4 F4 N8 O8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of chlorido-4-fluorobenzyl-bis(2-methylquinolin-8-olato-κ2 N,O)tin(IV), C27H22ClFN2O2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","823","825","10.1515/ncrs-2019-0130","","","0.71073","MoKα","","0.0142","0.0141","","","0.0381","0.0381","","","","","","0.981","","","","has coordinates","278169","2022-09-26","15:32:12",""
"9005625","6.7805","","6.7805","","24.689","","90","","90","","90","","1135.08","","","","","","","","","","","","Bastnas, Skinnskatteberg, Sweden","4","P 41","P 4w","76","","","Percleveite-(Ce)","- Ho0.275 La1.725 O7 Si2 -","- Ho0.275 La1.725 O7 Si2 -","- Ho2.2 La13.8 O56 Si16 -","8","2","","Holtstam, D.; Norrestam, R.; Andersson, U. B.","Percleveite-(Ce) - a new lanthanide disilicate mineral from Bastnas, Skinnskatteberg, Sweden Locality: Bastnas, Skinnskatteberg, Sweden","European Journal of Mineralogy","2003","15","","725","731","10.1127/0935-1221/2003/0015-0725","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007792","7.615","","7.615","","29.458","","90","","90","","90","","1708.22","","","","","","","","","","","","","4","P 41","P 4w","76","","","","- Li O16 Rb4 S4 -","- Li O16 Rb4 S4 -","- Li4 O64 Rb16 S16 -","4","1","","Zuniga, F. J.; Etxebarria, J.; Madariaga, G.; Breczewski, T.","Structure and absolute chirality of Rb4LiH3(SO4)4 at 293 K","Acta Crystallographica, Section C","1990","46","","1199","1202","10.1107/S0108270189011029","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007986","6.7964","","6.7964","","24.7282","","90","","90","","90","","1142.22","","","","","","","","","","","","","3","P 41","P 4w","76","","","Percleveite-(Ce)","- Ce2 O7 Si2 -","- Ce2 O7 Si2 -","- Ce16 O56 Si16 -","8","2","","Deng, B.; Ibers, J. A.","Dicerium disilicate, Ce2[Si2O7]","Acta Crystallographica, Section E","2005","61","","i76","i78","10.1107/S1600536805011049","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:05",""